10-methyl-8,9-dihydrobenzo[8]annulen-3-amine

C13H15N — CID 91309937

IUPAC10-methyl-8,9-dihydrobenzo[8]annulen-3-amine
SMILESCC1=c2ccc(N)cc2=CC=CCC1
InChIInChI=1S/C13H15N/c1-10-5-3-2-4-6-11-9-12(14)7-8-13(10)11/h2,4,6-9H,3,5,14H2,1H3
InChIKeyKKZFXEGLOKVSTF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.57
Rot. Bonds

About 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine

10-methyl-8,9-dihydrobenzo[8]annulen-3-amine (PubChem CID 91309937) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine.

Molecular Properties

Compound Name10-methyl-8,9-dihydrobenzo[8]annulen-3-amine
PubChem CID91309937
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name10-methyl-8,9-dihydrobenzo[8]annulen-3-amine
SMILESCC1=c2ccc(N)cc2=CC=CCC1
InChIInChI=1S/C13H15N/c1-10-5-3-2-4-6-11-9-12(14)7-8-13(10)11/h2,4,6-9H,3,5,14H2,1H3
InChIKeyKKZFXEGLOKVSTF-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-methyl-8,9-dihydrobenzo[8]annulen-3-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

5-Ethyl-2-fluorocyclohexa-1,5-dien-1-amine
CID 163660425
2,7-Diaminobiphenylene
CID 59302055
Benzo[7]annulen-7-amine
CID 19915662
1,5-Cyclohexadienylamine
CID 20196055
(2Z,4E)-5-ethenyl-6-methylhepta-2,4,6-trien-2-amine
CID 129215884
(3Z,5E,6Z)-4-ethenyl-5-ethylidenenona-1,3,6,8-tetraen-3-amine
CID 134224473
(2-Methylcyclohexa-1,5-dien-1-yl)azanium
CID 163648688
4-Ethyl-6-methylcyclohepta-1,3,6-trien-1-amine
CID 163667191
(1E,3Z,5Z)-6-methylcyclonona-1,3,5,8-tetraen-1-amine
CID 163668207
Biphenylene-2,6-diamine
CID 26369648
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
5-Ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 134389739

Frequently Asked Questions

What is the IUPAC name of 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine?
The IUPAC name of 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine (CID 91309937) is 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine.
What is the SMILES notation for 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine?
The canonical SMILES for 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine is CC1=c2ccc(N)cc2=CC=CCC1.
What is the InChIKey of 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine?
The InChIKey is KKZFXEGLOKVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-5-3-2-4-6-11-9-12(14)7-8-13(10)11/h2,4,6-9H,3,5,14H2,1H3.
What are the key properties of 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine?
10-methyl-8,9-dihydrobenzo[8]annulen-3-amine has a molecular weight of 185.27 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8,9-dihydrobenzo[8]annulen-3-amine is sourced from PubChem (CID 91309937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).