N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine

C15H29NO — CID 82934395

IUPACN-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCC2)CCCCC1
InChIInChI=1S/C15H29NO/c1-17-12-11-16-13-15(9-5-2-6-10-15)14-7-3-4-8-14/h14,16H,2-13H2,1H3
InChIKeyMPHNVRHKGDWMLQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine

N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine (PubChem CID 82934395) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
PubChem CID82934395
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCC2)CCCCC1
InChIInChI=1S/C15H29NO/c1-17-12-11-16-13-15(9-5-2-6-10-15)14-7-3-4-8-14/h14,16H,2-13H2,1H3
InChIKeyMPHNVRHKGDWMLQ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine (CID 82934395) is N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine is COCCNCC1(C2CCCC2)CCCCC1.
What is the InChIKey of N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine?
The InChIKey is MPHNVRHKGDWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-17-12-11-16-13-15(9-5-2-6-10-15)14-7-3-4-8-14/h14,16H,2-13H2,1H3.
What are the key properties of N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine?
N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82934395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).