(4-propylcyclohexa-2,4-dien-1-yl)methanamine

C10H17N — CID 89176438

IUPAC(4-propylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCCC1=CCC(CN)C=C1
InChIInChI=1S/C10H17N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-6,10H,2-3,7-8,11H2,1H3
InChIKeyXFELSPHVUYVUMG-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds3

About (4-propylcyclohexa-2,4-dien-1-yl)methanamine

(4-propylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 89176438) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (4-propylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-propylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID89176438
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(4-propylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCCCC1=CCC(CN)C=C1
InChIInChI=1S/C10H17N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-6,10H,2-3,7-8,11H2,1H3
InChIKeyXFELSPHVUYVUMG-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-propylcyclohexa-2,4-dien-1-yl)methanamine 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 (4-propylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (4-propylcyclohexa-2,4-dien-1-yl)methanamine (CID 89176438) is (4-propylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (4-propylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (4-propylcyclohexa-2,4-dien-1-yl)methanamine is CCCC1=CCC(CN)C=C1.
What is the InChIKey of (4-propylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is XFELSPHVUYVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-6,10H,2-3,7-8,11H2,1H3.
What are the key properties of (4-propylcyclohexa-2,4-dien-1-yl)methanamine?
(4-propylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 89176438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).