azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine

C115H271N25O13 — CID 158339976

IUPACazetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine
SMILESC1CCNC1.C1CNC1.CC(C)N.CC1CCNCC1.CCCCCNC.CCCNC.CCCO.CCNC.CN(C)CCO.CN1CCC(N)CC1.CN1CCNCC1.CNC1CC1.CNCC1CCOC1.CNCCC(C)C.CNCCOC.COCCC1CCNCC1.COCCCCO.COCCN.COCCO.CON1CCNCC1.NC1CC1.NC1CCC1.NC1CCCCC1.NCc1ccccn1.OCC1CCCO1
InChIInChI=1S/C8H17NO.C6H14N2.C6H8N2.C6H13NO.2C6H13N.2C6H15N.C5H12N2O.C5H12N2.C5H10O2.C5H12O2.2C4H11NO.3C4H9N.C4H11N.C3H9NO.2C3H7N.2C3H9N.C3H8O2.C3H8O/c1-10-7-4-8-2-5-9-6-3-8;1-8-4-2-6(7)3-5-8;7-5-6-3-1-2-4-8-6;1-7-4-6-2-3-8-5-6;1-6-2-4-7-5-3-6;7-6-4-2-1-3-5-6;1-6(2)4-5-7-3;1-3-4-5-6-7-2;1-8-7-4-2-6-3-5-7;1-7-4-2-6-3-5-7;6-4-5-2-1-3-7-5;1-7-5-3-2-4-6;1-5-3-4-6-2;1-5(2)3-4-6;1-5-4-2-3-4;1-2-4-5-3-1;5-4-2-1-3-4;1-3-4-5-2;1-5-3-2-4;1-2-4-3-1;4-3-1-2-3;1-3-4-2;1-3(2)4;1-5-3-2-4;1-2-3-4/h8-9H,2-7H2,1H3;6H,2-5,7H2,1H3;1-4H,5,7H2;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,1-5,7H2;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,1-4H2;6H,2-5H2,1H3;5H,3-4H2,1-2H3;6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;5H,1-4H2;4H,1-3,5H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,1-3H2;3H,1-2,4H2;4H,3H2,1-2H3;3H,4H2,1-2H3;4H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyGRAQAIWUHKGHBI-UHFFFAOYSA-N
MW2212.59 g/mol
LogP7.83
Rot. Bonds33

About azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine

azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine (PubChem CID 158339976) has the molecular formula C115H271N25O13 and a molecular weight of 2212.59 g/mol. Its IUPAC name is azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine.

Molecular Properties

Compound Nameazetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine
PubChem CID158339976
Molecular FormulaC115H271N25O13
Molecular Weight2212.59 g/mol
Exact Mass2211.13
IUPAC Nameazetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine
SMILESC1CCNC1.C1CNC1.CC(C)N.CC1CCNCC1.CCCCCNC.CCCNC.CCCO.CCNC.CN(C)CCO.CN1CCC(N)CC1.CN1CCNCC1.CNC1CC1.CNCC1CCOC1.CNCCC(C)C.CNCCOC.COCCC1CCNCC1.COCCCCO.COCCN.COCCO.CON1CCNCC1.NC1CC1.NC1CCC1.NC1CCCCC1.NCc1ccccn1.OCC1CCCO1
InChIInChI=1S/C8H17NO.C6H14N2.C6H8N2.C6H13NO.2C6H13N.2C6H15N.C5H12N2O.C5H12N2.C5H10O2.C5H12O2.2C4H11NO.3C4H9N.C4H11N.C3H9NO.2C3H7N.2C3H9N.C3H8O2.C3H8O/c1-10-7-4-8-2-5-9-6-3-8;1-8-4-2-6(7)3-5-8;7-5-6-3-1-2-4-8-6;1-7-4-6-2-3-8-5-6;1-6-2-4-7-5-3-6;7-6-4-2-1-3-5-6;1-6(2)4-5-7-3;1-3-4-5-6-7-2;1-8-7-4-2-6-3-5-7;1-7-4-2-6-3-5-7;6-4-5-2-1-3-7-5;1-7-5-3-2-4-6;1-5-3-4-6-2;1-5(2)3-4-6;1-5-4-2-3-4;1-2-4-5-3-1;5-4-2-1-3-4;1-3-4-5-2;1-5-3-2-4;1-2-4-3-1;4-3-1-2-3;1-3-4-2;1-3(2)4;1-5-3-2-4;1-2-3-4/h8-9H,2-7H2,1H3;6H,2-5,7H2,1H3;1-4H,5,7H2;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,1-5,7H2;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,1-4H2;6H,2-5H2,1H3;5H,3-4H2,1-2H3;6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;5H,1-4H2;4H,1-3,5H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,1-3H2;3H,1-2,4H2;4H,3H2,1-2H3;3H,4H2,1-2H3;4H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyGRAQAIWUHKGHBI-UHFFFAOYSA-N
XLogP7.83
TPSA539.37 Ų
H-Bond Donors25
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.59
LogP ≤ 57.83
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine?
The IUPAC name of azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine (CID 158339976) is azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine.
What is the SMILES notation for azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine?
The canonical SMILES for azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine is C1CCNC1.C1CNC1.CC(C)N.CC1CCNCC1.CCCCCNC.CCCNC.CCCO.CCNC.CN(C)CCO.CN1CCC(N)CC1.CN1CCNCC1.CNC1CC1.CNCC1CCOC1.CNCCC(C)C.CNCCOC.COCCC1CCNCC1.COCCCCO.COCCN.COCCO.CON1CCNCC1.NC1CC1.NC1CCC1.NC1CCCCC1.NCc1ccccn1.OCC1CCCO1.
What is the InChIKey of azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine?
The InChIKey is GRAQAIWUHKGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H14N2.C6H8N2.C6H13NO.2C6H13N.2C6H15N.C5H12N2O.C5H12N2.C5H10O2.C5H12O2.2C4H11NO.3C4H9N.C4H11N.C3H9NO.2C3H7N.2C3H9N.C3H8O2.C3H8O/c1-10-7-4-8-2-5-9-6-3-8;1-8-4-2-6(7)3-5-8;7-5-6-3-1-2-4-8-6;1-7-4-6-2-3-8-5-6;1-6-2-4-7-5-3-6;7-6-4-2-1-3-5-6;1-6(2)4-5-7-3;1-3-4-5-6-7-2;1-8-7-4-2-6-3-5-7;1-7-4-2-6-3-5-7;6-4-5-2-1-3-7-5;1-7-5-3-2-4-6;1-5-3-4-6-2;1-5(2)3-4-6;1-5-4-2-3-4;1-2-4-5-3-1;5-4-2-1-3-4;1-3-4-5-2;1-5-3-2-4;1-2-4-3-1;4-3-1-2-3;1-3-4-2;1-3(2)4;1-5-3-2-4;1-2-3-4/h8-9H,2-7H2,1H3;6H,2-5,7H2,1H3;1-4H,5,7H2;6-7H,2-5H2,1H3;6-7H,2-5H2,1H3;6H,1-5,7H2;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,2-5H2,1H3;6H,2-5H2,1H3;5-6H,1-4H2;6H,2-5H2,1H3;5H,3-4H2,1-2H3;6H,3-4H2,1-2H3;4-5H,2-3H2,1H3;5H,1-4H2;4H,1-3,5H2;5H,3-4H2,1-2H3;2-4H2,1H3;4H,1-3H2;3H,1-2,4H2;4H,3H2,1-2H3;3H,4H2,1-2H3;4H,2-3H2,1H3;4H,2-3H2,1H3.
What are the key properties of azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine?
azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine has a molecular weight of 2212.59 g/mol, XLogP of 7.83, 33 rotatable bonds, 25 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine is sourced from PubChem (CID 158339976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).