2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine

C8H15N — CID 13291720

IUPAC2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine
SMILESNC12CCCC1CCC2
InChIInChI=1S/C8H15N/c9-8-5-1-3-7(8)4-2-6-8/h7H,1-6,9H2
InChIKeyGFVTZQJYRIWSOJ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.67
Rot. Bonds

About 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine

2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine (PubChem CID 13291720) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine
PubChem CID13291720
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine
SMILESNC12CCCC1CCC2
InChIInChI=1S/C8H15N/c9-8-5-1-3-7(8)4-2-6-8/h7H,1-6,9H2
InChIKeyGFVTZQJYRIWSOJ-UHFFFAOYSA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine (CID 13291720) is 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine is NC12CCCC1CCC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine?
The InChIKey is GFVTZQJYRIWSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c9-8-5-1-3-7(8)4-2-6-8/h7H,1-6,9H2.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine?
2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine has a molecular weight of 125.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-amine is sourced from PubChem (CID 13291720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).