2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine

C10H17NO — CID 174313365

IUPAC2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine
SMILESCOC1=CCCC(CCN)C=C1
InChIInChI=1S/C10H17NO/c1-12-10-4-2-3-9(5-6-10)7-8-11/h4-6,9H,2-3,7-8,11H2,1H3
InChIKeyLPOFBBWBDZKWRL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine

2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine (PubChem CID 174313365) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine
PubChem CID174313365
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine
SMILESCOC1=CCCC(CCN)C=C1
InChIInChI=1S/C10H17NO/c1-12-10-4-2-3-9(5-6-10)7-8-11/h4-6,9H,2-3,7-8,11H2,1H3
InChIKeyLPOFBBWBDZKWRL-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine 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 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine (CID 174313365) is 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine is COC1=CCCC(CCN)C=C1.
What is the InChIKey of 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine?
The InChIKey is LPOFBBWBDZKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-10-4-2-3-9(5-6-10)7-8-11/h4-6,9H,2-3,7-8,11H2,1H3.
What are the key properties of 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine?
2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohepta-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 174313365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).