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'}

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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).