5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine

C13H15N — CID 142522585

IUPAC5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
SMILESC=C1CCc2cc3c(c(N)c21)CCC3
InChIInChI=1S/C13H15N/c1-8-5-6-10-7-9-3-2-4-11(9)13(14)12(8)10/h7H,1-6,14H2
InChIKeyVPLPKPAXRYNQCY-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.72
Rot. Bonds

About 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine

5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine (PubChem CID 142522585) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine.

Molecular Properties

Compound Name5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
PubChem CID142522585
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine
SMILESC=C1CCc2cc3c(c(N)c21)CCC3
InChIInChI=1S/C13H15N/c1-8-5-6-10-7-9-3-2-4-11(9)13(14)12(8)10/h7H,1-6,14H2
InChIKeyVPLPKPAXRYNQCY-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-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

ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 146303850
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
(2R)-2-methyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-amine
CID 146610837
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015
4-thionitroso-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
CID 162519096
4-(difluoromethoxy)-1,2,3,5,6,7-hexahydro-s-indacene
CID 171472859
CID 89263327
CID 89263327
3-cyclohexyl-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 131842982

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine?
The IUPAC name of 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine (CID 142522585) is 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine.
What is the SMILES notation for 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine?
The canonical SMILES for 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine is C=C1CCc2cc3c(c(N)c21)CCC3.
What is the InChIKey of 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine?
The InChIKey is VPLPKPAXRYNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-8-5-6-10-7-9-3-2-4-11(9)13(14)12(8)10/h7H,1-6,14H2.
What are the key properties of 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine?
5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine has a molecular weight of 185.27 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,3,6,7-tetrahydro-1H-s-indacen-4-amine is sourced from PubChem (CID 142522585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).