3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine

C17H29NO — CID 130373192

IUPAC3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
SMILESCNCCCC1C=CC=C(OCC2CCCCC2)C1
InChIInChI=1S/C17H29NO/c1-18-12-6-10-15-9-5-11-17(13-15)19-14-16-7-3-2-4-8-16/h5,9,11,15-16,18H,2-4,6-8,10,12-14H2,1H3
InChIKeyNLNYJPHTPYXOSY-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.04
Rot. Bonds7

About 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine

3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine (PubChem CID 130373192) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
PubChem CID130373192
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
SMILESCNCCCC1C=CC=C(OCC2CCCCC2)C1
InChIInChI=1S/C17H29NO/c1-18-12-6-10-15-9-5-11-17(13-15)19-14-16-7-3-2-4-8-16/h5,9,11,15-16,18H,2-4,6-8,10,12-14H2,1H3
InChIKeyNLNYJPHTPYXOSY-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine 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 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine (CID 130373192) is 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine is CNCCCC1C=CC=C(OCC2CCCCC2)C1.
What is the InChIKey of 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine?
The InChIKey is NLNYJPHTPYXOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-18-12-6-10-15-9-5-11-17(13-15)19-14-16-7-3-2-4-8-16/h5,9,11,15-16,18H,2-4,6-8,10,12-14H2,1H3.
What are the key properties of 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine?
3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 130373192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).