5,7-dimethylidenecyclohepta-1,3-dien-1-amine

C9H11N — CID 163991597

IUPAC5,7-dimethylidenecyclohepta-1,3-dien-1-amine
SMILESC=C1C=CC=C(N)C(=C)C1
InChIInChI=1S/C9H11N/c1-7-4-3-5-9(10)8(2)6-7/h3-5H,1-2,6,10H2
InChIKeyUBCDKOMRXUCLEY-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.90
Rot. Bonds

About 5,7-dimethylidenecyclohepta-1,3-dien-1-amine

5,7-dimethylidenecyclohepta-1,3-dien-1-amine (PubChem CID 163991597) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5,7-dimethylidenecyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound Name5,7-dimethylidenecyclohepta-1,3-dien-1-amine
PubChem CID163991597
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5,7-dimethylidenecyclohepta-1,3-dien-1-amine
SMILESC=C1C=CC=C(N)C(=C)C1
InChIInChI=1S/C9H11N/c1-7-4-3-5-9(10)8(2)6-7/h3-5H,1-2,6,10H2
InChIKeyUBCDKOMRXUCLEY-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,7-dimethylidenecyclohepta-1,3-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

methyl 5-methylidenecyclohexa-1,3-diene-1-carboxylate
CID 175387361
5-ethenylidenecyclohexa-1,3-dien-1-amine
CID 176522524
cycloocta-1,3,5,7-tetraene-1,5-diamine
CID 158390610
3-imino-4,6-dimethylidenecyclohexen-1-amine
CID 102013794
bicyclo[3.3.1]nona-1,3,5,7-tetraene
CID 141161601
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
1-methyl-2-methylidenepyridin-3-amine
CID 145084072
1,2,4,5-tetramethylidenecyclohexane
CID 14908254
(1E,3Z,5E,7Z,9Z)-4-methyl-11-methylidenecycloundeca-1,3,5,7,9-pentaen-1-amine
CID 163497639
5-amino-6-iminocyclohexa-2,4-dien-1-one
CID 68656243
ethane;(7Z,9Z)-6-methylidene-11,12-dihydro-5H-benzo[10]annulene
CID 144619160
4H-cyclopenta[c]pyridin-3-amine
CID 175869974

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylidenecyclohepta-1,3-dien-1-amine?
The IUPAC name of 5,7-dimethylidenecyclohepta-1,3-dien-1-amine (CID 163991597) is 5,7-dimethylidenecyclohepta-1,3-dien-1-amine.
What is the SMILES notation for 5,7-dimethylidenecyclohepta-1,3-dien-1-amine?
The canonical SMILES for 5,7-dimethylidenecyclohepta-1,3-dien-1-amine is C=C1C=CC=C(N)C(=C)C1.
What is the InChIKey of 5,7-dimethylidenecyclohepta-1,3-dien-1-amine?
The InChIKey is UBCDKOMRXUCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-4-3-5-9(10)8(2)6-7/h3-5H,1-2,6,10H2.
What are the key properties of 5,7-dimethylidenecyclohepta-1,3-dien-1-amine?
5,7-dimethylidenecyclohepta-1,3-dien-1-amine has a molecular weight of 133.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylidenecyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 163991597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).