azane;2,3-dimethyl-9H-benzo[7]annulene

C13H17N — CID 142943384

IUPACazane;2,3-dimethyl-9H-benzo[7]annulene
SMILESCc1cc2c(cc1C)CC=CC=C2.N
InChIInChI=1S/C13H14.H3N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2;/h3-6,8-9H,7H2,1-2H3;1H3
InChIKeyGTOSYLXJIXWECZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.59
Rot. Bonds

About azane;2,3-dimethyl-9H-benzo[7]annulene

azane;2,3-dimethyl-9H-benzo[7]annulene (PubChem CID 142943384) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is azane;2,3-dimethyl-9H-benzo[7]annulene.

Molecular Properties

Compound Nameazane;2,3-dimethyl-9H-benzo[7]annulene
PubChem CID142943384
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameazane;2,3-dimethyl-9H-benzo[7]annulene
SMILESCc1cc2c(cc1C)CC=CC=C2.N
InChIInChI=1S/C13H14.H3N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2;/h3-6,8-9H,7H2,1-2H3;1H3
InChIKeyGTOSYLXJIXWECZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azane;2,3-dimethyl-9H-benzo[7]annulene 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

(4Z,6Z)-10,11-dimethyl-3-methylidene-8H-2-benzazecine
CID 155038770
6-methyl-3H-inden-5-ol
CID 159911719
6-tert-butyl-5-methyl-1H-indene
CID 160824528
ethane;2-formyl-9H-benzo[7]annulene-3-carboxamide
CID 142848355
5H-cyclohepta[f][1]benzothiole;ethane
CID 145308925
2-methyl-8H-cyclohepta[b]furan
CID 154672725
N-[4-(9H-benzo[7]annulen-3-ylmethylideneamino)-3-methylphenyl]-1-naphthalen-2-ylmethanimine
CID 145060082
heptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,8,11,13,15,17,19,21(25),23,26-tridecaene
CID 159780019
5-[2-(1H-inden-5-yl)ethynyl]-1H-indene
CID 123225613
9H-benzo[7]annulen-2-yl 2,2-dimethylpropanoate
CID 154023588
3-methyl-1,8-dihydrocyclohepta[b]pyrrole
CID 143592907
7,8-dimethyl-1,3-dihydro-3-benzazepin-2-one;ethane
CID 144564580

Frequently Asked Questions

What is the IUPAC name of azane;2,3-dimethyl-9H-benzo[7]annulene?
The IUPAC name of azane;2,3-dimethyl-9H-benzo[7]annulene (CID 142943384) is azane;2,3-dimethyl-9H-benzo[7]annulene.
What is the SMILES notation for azane;2,3-dimethyl-9H-benzo[7]annulene?
The canonical SMILES for azane;2,3-dimethyl-9H-benzo[7]annulene is Cc1cc2c(cc1C)CC=CC=C2.N.
What is the InChIKey of azane;2,3-dimethyl-9H-benzo[7]annulene?
The InChIKey is GTOSYLXJIXWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.H3N/c1-10-8-12-6-4-3-5-7-13(12)9-11(10)2;/h3-6,8-9H,7H2,1-2H3;1H3.
What are the key properties of azane;2,3-dimethyl-9H-benzo[7]annulene?
azane;2,3-dimethyl-9H-benzo[7]annulene has a molecular weight of 187.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-dimethyl-9H-benzo[7]annulene is sourced from PubChem (CID 142943384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).