N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine

C18H35N — CID 81030643

IUPACN-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1CC1CCCC1
InChIInChI=1S/C18H35N/c1-4-11-19-14-16-9-10-18(2,3)13-17(16)12-15-7-5-6-8-15/h15-17,19H,4-14H2,1-3H3
InChIKeyLWDTZOLBECXAIM-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds6

About N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine

N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine (PubChem CID 81030643) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
PubChem CID81030643
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1CC1CCCC1
InChIInChI=1S/C18H35N/c1-4-11-19-14-16-9-10-18(2,3)13-17(16)12-15-7-5-6-8-15/h15-17,19H,4-14H2,1-3H3
InChIKeyLWDTZOLBECXAIM-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine (CID 81030643) is N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)(C)CC1CC1CCCC1.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine?
The InChIKey is LWDTZOLBECXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-11-19-14-16-9-10-18(2,3)13-17(16)12-15-7-5-6-8-15/h15-17,19H,4-14H2,1-3H3.
What are the key properties of N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine?
N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81030643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).