8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C13H17N — CID 122480741

IUPAC8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCc1c2c(c(N)c3c1CCC3)CCC2
InChIInChI=1S/C13H17N/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h2-7,14H2,1H3
InChIKeyJARIUGIVDZQWBW-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.55
Rot. Bonds

About 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 122480741) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Name8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID122480741
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCc1c2c(c(N)c3c1CCC3)CCC2
InChIInChI=1S/C13H17N/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h2-7,14H2,1H3
InChIKeyJARIUGIVDZQWBW-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalene-1,2,3,4-tetramine
CID 163637874
8-ethynyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 155571395
2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-amine
CID 7012390
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
CID 7071102
ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 169136046
6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-amine
CID 146570694
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene
CID 129040041
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
6,7,8-trimethyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 21029067
6-fluoro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62196283

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 122480741) is 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is Cc1c2c(c(N)c3c1CCC3)CCC2.
What is the InChIKey of 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is JARIUGIVDZQWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-8-9-4-2-6-11(9)13(14)12-7-3-5-10(8)12/h2-7,14H2,1H3.
What are the key properties of 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 187.29 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 122480741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).