4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine

C89H187N14O+ — CID 159405010

About 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine

4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine (PubChem CID 159405010) has the molecular formula C89H187N14O+ and a molecular weight of 1469.57 g/mol. Its IUPAC name is 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine.

Molecular Properties

• Compound Name: 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine
• PubChem CID: 159405010
• Molecular Formula: C89H187N14O+
• Molecular Weight: 1469.57 g/mol
• Exact Mass: 1468.50
• IUPAC Name: 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine
• SMILES: CC(C)(C)C1CC[N+](C)(C)CC1.CC(C)(C)CCCCC1CNC1.CC(C)(C)CCCN1CCNCC1.CC(C)(C)CCN=C(N)N.CC(C)(C)COC1CC(N)C1.CC(C)(C)C[C@@H]1CCNC1.CC(C)(C)C[C@H]1CCNC1.CC(C)(C)N1CCNCC1.CC(C)(C)c1ccncc1.CC1CC(N)C1
• InChI: InChI=1S/C11H24N2.C11H24N.C11H23N.C9H19NO.C9H13N.2C9H19N.C8H18N2.C7H17N3.C5H11N/c1-11(2,3)5-4-8-13-9-6-12-7-10-13;1-11(2,3)10-6-8-12(4,5)9-7-10;1-11(2,3)7-5-4-6-10-8-12-9-10;1-9(2,3)6-11-8-4-7(10)5-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)10-6-4-9-5-7-10;1-7(2,3)4-5-10-6(8)9;1-4-2-5(6)3-4/h12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;10,12H,4-9H2,1-3H3;7-8H,4-6,10H2,1-3H3;4-7H,1-3H3;2*8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-5H2,1-3H3,(H4,8,9,10);4-5H,2-3,6H2,1H3/q;+1;;;;;;;;/t;;;;;2*8-;;;/m.....10.../s1
• InChIKey: LNVMRBASKQMWSN-UTIIGDHSSA-N
• XLogP: 17.16
• TPSA: 205.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1469.57
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

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_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine?

The IUPAC name of 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine (CID 159405010) is 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine.

What is the SMILES notation for 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine?

The canonical SMILES for 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine is CC(C)(C)C1CC[N+](C)(C)CC1.CC(C)(C)CCCCC1CNC1.CC(C)(C)CCCN1CCNCC1.CC(C)(C)CCN=C(N)N.CC(C)(C)COC1CC(N)C1.CC(C)(C)C[C@@H]1CCNC1.CC(C)(C)C[C@H]1CCNC1.CC(C)(C)N1CCNCC1.CC(C)(C)c1ccncc1.CC1CC(N)C1.

What is the InChIKey of 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine?

The InChIKey is LNVMRBASKQMWSN-UTIIGDHSSA-N. The full InChI is InChI=1S/C11H24N2.C11H24N.C11H23N.C9H19NO.C9H13N.2C9H19N.C8H18N2.C7H17N3.C5H11N/c1-11(2,3)5-4-8-13-9-6-12-7-10-13;1-11(2,3)10-6-8-12(4,5)9-7-10;1-11(2,3)7-5-4-6-10-8-12-9-10;1-9(2,3)6-11-8-4-7(10)5-8;1-9(2,3)8-4-6-10-7-5-8;2*1-9(2,3)6-8-4-5-10-7-8;1-8(2,3)10-6-4-9-5-7-10;1-7(2,3)4-5-10-6(8)9;1-4-2-5(6)3-4/h12H,4-10H2,1-3H3;10H,6-9H2,1-5H3;10,12H,4-9H2,1-3H3;7-8H,4-6,10H2,1-3H3;4-7H,1-3H3;2*8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-5H2,1-3H3,(H4,8,9,10);4-5H,2-3,6H2,1H3/q;+1;;;;;;;;/t;;;;;2*8-;;;/m.....10.../s1.

What are the key properties of 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine?

4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine has a molecular weight of 1469.57 g/mol, XLogP of 17.16, 13 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine is sourced from PubChem (CID 159405010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).