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

C12H15N — CID 11252285

IUPAC1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESNc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C12H15N/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6,13H2
InChIKeyWVCORPDIFAZDQV-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.25
Rot. Bonds

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

1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 11252285) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID11252285
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESNc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C12H15N/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6,13H2
InChIKeyWVCORPDIFAZDQV-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 11252285) is 1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for 1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for 1,2,3,5,6,7-hexahydro-s-indacen-4-amine is Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is WVCORPDIFAZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-10-5-1-3-8(10)7-9-4-2-6-11(9)12/h7H,1-6,13H2.
What are the key properties of 1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 173.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 11252285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).