N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine

C17H34N2 — CID 64738282

IUPACN-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-4-9-18-12-16-6-5-10-19(13-16)17-8-7-14(2)15(3)11-17/h14-18H,4-13H2,1-3H3
InChIKeyIUMUZVMPPGDZKE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine

N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 64738282) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID64738282
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(C2CCC(C)C(C)C2)C1
InChIInChI=1S/C17H34N2/c1-4-9-18-12-16-6-5-10-19(13-16)17-8-7-14(2)15(3)11-17/h14-18H,4-13H2,1-3H3
InChIKeyIUMUZVMPPGDZKE-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
3-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]propanoic acid
CID 64740198
N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 64742879
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
CID 114799777
1-[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]-N-ethylethanamine
CID 64739146
N-[[2-(3-ethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80998879
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
2-[[1-(3,5-dimethylcyclohexyl)piperidin-3-yl]methylamino]acetic acid
CID 106813828

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine (CID 64738282) is N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(C2CCC(C)C(C)C2)C1.
What is the InChIKey of N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is IUMUZVMPPGDZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-9-18-12-16-6-5-10-19(13-16)17-8-7-14(2)15(3)11-17/h14-18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine?
N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64738282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).