4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine

C10H15N — CID 163663625

IUPAC4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
SMILESC=CC1CC=C(N)C=CC1C
InChIInChI=1S/C10H15N/c1-3-9-5-7-10(11)6-4-8(9)2/h3-4,6-9H,1,5,11H2,2H3
InChIKeyIWMMJIGZBQOYQV-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.23
Rot. Bonds1

About 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine

4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine (PubChem CID 163663625) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine.

Molecular Properties

Compound Name4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
PubChem CID163663625
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
SMILESC=CC1CC=C(N)C=CC1C
InChIInChI=1S/C10H15N/c1-3-9-5-7-10(11)6-4-8(9)2/h3-4,6-9H,1,5,11H2,2H3
InChIKeyIWMMJIGZBQOYQV-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-5-methylcyclohepta-1,6-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

Related Compounds

4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
CID 89153959
CID 89153959
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
(3Z,5Z)-5-amino-8-methylcycloocta-3,5-dien-1-ol
CID 174024874
4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine
CID 143311445
(3S,4S)-3,4-dimethyl-6-methylidenecyclohexene
CID 59584717
4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine
CID 142879506
4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153236521
(4S)-4-methylcyclobuten-1-amine
CID 164996658
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
(5S)-5-methyl-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 163504031
3-ethenyl-4-methylcyclopentene
CID 143683311

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine?
The IUPAC name of 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine (CID 163663625) is 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine.
What is the SMILES notation for 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine?
The canonical SMILES for 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine is C=CC1CC=C(N)C=CC1C.
What is the InChIKey of 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine?
The InChIKey is IWMMJIGZBQOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9-5-7-10(11)6-4-8(9)2/h3-4,6-9H,1,5,11H2,2H3.
What are the key properties of 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine?
4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine is sourced from PubChem (CID 163663625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).