4,7-dimethylbenzo[7]annulen-7-amine

C13H15N — CID 123576398

IUPAC4,7-dimethylbenzo[7]annulen-7-amine
SMILESCc1cccc2c1C=CC(C)(N)C=C2
InChIInChI=1S/C13H15N/c1-10-4-3-5-11-6-8-13(2,14)9-7-12(10)11/h3-9H,14H2,1-2H3
InChIKeyKMSXDTKEVJRTMM-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.75
Rot. Bonds

About 4,7-dimethylbenzo[7]annulen-7-amine

4,7-dimethylbenzo[7]annulen-7-amine (PubChem CID 123576398) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4,7-dimethylbenzo[7]annulen-7-amine.

Molecular Properties

Compound Name4,7-dimethylbenzo[7]annulen-7-amine
PubChem CID123576398
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4,7-dimethylbenzo[7]annulen-7-amine
SMILESCc1cccc2c1C=CC(C)(N)C=C2
InChIInChI=1S/C13H15N/c1-10-4-3-5-11-6-8-13(2,14)9-7-12(10)11/h3-9H,14H2,1-2H3
InChIKeyKMSXDTKEVJRTMM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylbenzo[7]annulen-7-amine?
The IUPAC name of 4,7-dimethylbenzo[7]annulen-7-amine (CID 123576398) is 4,7-dimethylbenzo[7]annulen-7-amine.
What is the SMILES notation for 4,7-dimethylbenzo[7]annulen-7-amine?
The canonical SMILES for 4,7-dimethylbenzo[7]annulen-7-amine is Cc1cccc2c1C=CC(C)(N)C=C2.
What is the InChIKey of 4,7-dimethylbenzo[7]annulen-7-amine?
The InChIKey is KMSXDTKEVJRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-4-3-5-11-6-8-13(2,14)9-7-12(10)11/h3-9H,14H2,1-2H3.
What are the key properties of 4,7-dimethylbenzo[7]annulen-7-amine?
4,7-dimethylbenzo[7]annulen-7-amine has a molecular weight of 185.27 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylbenzo[7]annulen-7-amine is sourced from PubChem (CID 123576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).