N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine

C16H23NO — CID 155085404

IUPACN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCN(CCCOC1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C16H23NO/c1-17(15-9-4-2-5-10-15)13-8-14-18-16-11-6-3-7-12-16/h2,4,6,9,11-12H,3,5,7-8,10,13-14H2,1H3
InChIKeyMMIMFMKVFLSAJL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.79
Rot. Bonds6

About N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine

N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 155085404) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID155085404
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCN(CCCOC1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C16H23NO/c1-17(15-9-4-2-5-10-15)13-8-14-18-16-11-6-3-7-12-16/h2,4,6,9,11-12H,3,5,7-8,10,13-14H2,1H3
InChIKeyMMIMFMKVFLSAJL-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-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 N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 155085404) is N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine is CN(CCCOC1=CCCC=C1)C1=CC=CCC1.
What is the InChIKey of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is MMIMFMKVFLSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(15-9-4-2-5-10-15)13-8-14-18-16-11-6-3-7-12-16/h2,4,6,9,11-12H,3,5,7-8,10,13-14H2,1H3.
What are the key properties of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine?
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155085404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).