1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine

C10H15N — CID 134378481

IUPAC1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
SMILESC=CCC1C=CC=CC1(C)N
InChIInChI=1S/C10H15N/c1-3-6-9-7-4-5-8-10(9,2)11/h3-5,7-9H,1,6,11H2,2H3
InChIKeyJYWNRILMMOWGBS-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.02
Rot. Bonds2

About 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine

1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine (PubChem CID 134378481) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
PubChem CID134378481
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
SMILESC=CCC1C=CC=CC1(C)N
InChIInChI=1S/C10H15N/c1-3-6-9-7-4-5-8-10(9,2)11/h3-5,7-9H,1,6,11H2,2H3
InChIKeyJYWNRILMMOWGBS-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-6-prop-2-enylcyclohexa-2,4-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 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine (CID 134378481) is 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine is C=CCC1C=CC=CC1(C)N.
What is the InChIKey of 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine?
The InChIKey is JYWNRILMMOWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-6-9-7-4-5-8-10(9,2)11/h3-5,7-9H,1,6,11H2,2H3.
What are the key properties of 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine?
1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134378481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).