2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine

C205H440N32+2 — CID 161143453

About 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine

2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine (PubChem CID 161143453) has the molecular formula C205H440N32+2 and a molecular weight of 3354.00 g/mol. Its IUPAC name is 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine.

Molecular Properties

• Compound Name: 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine
• PubChem CID: 161143453
• Molecular Formula: C205H440N32+2
• Molecular Weight: 3354.00 g/mol
• Exact Mass: 3351.54
• IUPAC Name: 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CC2(CC(N)C2)C1.CC(C)(C)C1CC2(CCNCC2)C1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCCC1CCNCC1.CC(C)(C)CCCCC1CCNCC1.CC(C)(C)CCCCCC1CCNCC1.CC(C)(C)CCN1CCC(N)CC1.CC(C)(C)CCN1CCNCC1.CC(C)(C)CN1CCC(N)CC1.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCC(N)CC1.CC1CC(N)C1.CC1CC(N=C(N)N)C1.CC1CC(N=C(N)N)C1.CC1CCC(N)CC1.CC1CCC(N)CC1.C[C@@H]1CNCCN1.C[C@H]1CC[C@@H](N)C1.C[C@H]1CNCCN1.C[n+]1ccc(C(C)(C)C)cc1.C[n+]1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C14H29N.C13H27N.C12H23N.C12H25N.C11H24N2.C11H21N.C11H23N.2C10H22N2.2C10H16N.2C9H20N2.2C7H15N.2C6H13N3.C6H13N.2C5H12N2.C5H11N.8C2H6/c1-14(2,3)10-6-4-5-7-13-8-11-15-12-9-13;1-13(2,3)9-5-4-6-12-7-10-14-11-8-12;1-11(2,3)10-8-12(9-10)4-6-13-7-5-12;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-11(2,3)6-9-13-7-4-10(12)5-8-13;1-10(2,3)8-4-11(5-8)6-9(12)7-11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-10(2,3)4-7-12-8-5-11-6-9-12;1-10(2,3)8-12-6-4-9(11)5-7-12;2*1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)11-6-4-8(10)5-7-11;2*1-6-2-4-7(8)5-3-6;2*1-4-2-5(3-4)9-6(7)8;1-5-2-3-6(7)4-5;2*1-5-4-6-2-3-7-5;1-4-2-5(6)3-4;8*1-2/h13,15H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3;10,13H,4-9H2,1-3H3;11,13H,4-10H2,1-3H3;10H,4-9,12H2,1-3H3;8-9H,4-7,12H2,1-3H3;10,12H,4-9H2,1-3H3;11H,4-9H2,1-3H3;9H,4-8,11H2,1-3H3;2*5-8H,1-4H3;10H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;2*6-7H,2-5,8H2,1H3;2*4-5H,2-3H2,1H3,(H4,7,8,9);5-6H,2-4,7H2,1H3;2*5-7H,2-4H2,1H3;4-5H,2-3,6H2,1H3;8*1-2H3/q;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;;/t;;;;;;;;;;;;;;;;;5-,6+;2*5-;;;;;;;;;/m.................010........./s1
• InChIKey: UNTCJIFRQVWSFN-PVTOJTDFSA-N
• XLogP: 41.73
• TPSA: 493.25 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3354.00
LogP ≤ 5	41.73
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine?

The IUPAC name of 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine (CID 161143453) is 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine.

What is the SMILES notation for 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine?

The canonical SMILES for 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1CC2(CC(N)C2)C1.CC(C)(C)C1CC2(CCNCC2)C1.CC(C)(C)CCC1CCNCC1.CC(C)(C)CCCC1CCNCC1.CC(C)(C)CCCCC1CCNCC1.CC(C)(C)CCCCCC1CCNCC1.CC(C)(C)CCN1CCC(N)CC1.CC(C)(C)CCN1CCNCC1.CC(C)(C)CN1CCC(N)CC1.CC(C)(C)CN1CCNCC1.CC(C)(C)N1CCC(N)CC1.CC1CC(N)C1.CC1CC(N=C(N)N)C1.CC1CC(N=C(N)N)C1.CC1CCC(N)CC1.CC1CCC(N)CC1.C[C@@H]1CNCCN1.C[C@H]1CC[C@@H](N)C1.C[C@H]1CNCCN1.C[n+]1ccc(C(C)(C)C)cc1.C[n+]1ccc(C(C)(C)C)cc1.

What is the InChIKey of 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine?

The InChIKey is UNTCJIFRQVWSFN-PVTOJTDFSA-N. The full InChI is InChI=1S/C14H29N.C13H27N.C12H23N.C12H25N.C11H24N2.C11H21N.C11H23N.2C10H22N2.2C10H16N.2C9H20N2.2C7H15N.2C6H13N3.C6H13N.2C5H12N2.C5H11N.8C2H6/c1-14(2,3)10-6-4-5-7-13-8-11-15-12-9-13;1-13(2,3)9-5-4-6-12-7-10-14-11-8-12;1-11(2,3)10-8-12(9-10)4-6-13-7-5-12;1-12(2,3)8-4-5-11-6-9-13-10-7-11;1-11(2,3)6-9-13-7-4-10(12)5-8-13;1-10(2,3)8-4-11(5-8)6-9(12)7-11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-10(2,3)4-7-12-8-5-11-6-9-12;1-10(2,3)8-12-6-4-9(11)5-7-12;2*1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-11-6-4-10-5-7-11;1-9(2,3)11-6-4-8(10)5-7-11;2*1-6-2-4-7(8)5-3-6;2*1-4-2-5(3-4)9-6(7)8;1-5-2-3-6(7)4-5;2*1-5-4-6-2-3-7-5;1-4-2-5(6)3-4;8*1-2/h13,15H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3;10,13H,4-9H2,1-3H3;11,13H,4-10H2,1-3H3;10H,4-9,12H2,1-3H3;8-9H,4-7,12H2,1-3H3;10,12H,4-9H2,1-3H3;11H,4-9H2,1-3H3;9H,4-8,11H2,1-3H3;2*5-8H,1-4H3;10H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;2*6-7H,2-5,8H2,1H3;2*4-5H,2-3H2,1H3,(H4,7,8,9);5-6H,2-4,7H2,1H3;2*5-7H,2-4H2,1H3;4-5H,2-3,6H2,1H3;8*1-2H3/q;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;;/t;;;;;;;;;;;;;;;;;5-,6+;2*5-;;;;;;;;;/m.................010........./s1.

What are the key properties of 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine?

2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine has a molecular weight of 3354.00 g/mol, XLogP of 41.73, 22 rotatable bonds, 23 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-azaspiro[3.5]nonane;bis(4-tert-butyl-1-methylpyridin-1-ium);1-tert-butylpiperidin-4-amine;6-tert-butylspiro[3.3]heptan-2-amine;cis-(1R,3S)-3-methylcyclopentan-1-amine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidin-4-amine;4-(3,3-dimethylbutyl)piperidine;4-(6,6-dimethylheptyl)piperidine;4-(5,5-dimethylhexyl)piperidine;4-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidin-4-amine;ethane;3-methylcyclobutan-1-amine;bis(2-(3-methylcyclobutyl)guanidine);bis(4-methylcyclohexan-1-amine);(2R)-2-methylpiperazine;(2S)-2-methylpiperazine is sourced from PubChem (CID 161143453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).