2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine

C12H15N — CID 19107012

IUPAC2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine
SMILESNC12CCCC1Cc1ccccc12
InChIInChI=1S/C12H15N/c13-12-7-3-5-10(12)8-9-4-1-2-6-11(9)12/h1-2,4,6,10H,3,5,7-8,13H2
InChIKeyOJMUBXUHGUENSH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.20
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine

2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine (PubChem CID 19107012) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine
PubChem CID19107012
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine
SMILESNC12CCCC1Cc1ccccc12
InChIInChI=1S/C12H15N/c13-12-7-3-5-10(12)8-9-4-1-2-6-11(9)12/h1-2,4,6,10H,3,5,7-8,13H2
InChIKeyOJMUBXUHGUENSH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine (CID 19107012) is 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine is NC12CCCC1Cc1ccccc12.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine?
The InChIKey is OJMUBXUHGUENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-12-7-3-5-10(12)8-9-4-1-2-6-11(9)12/h1-2,4,6,10H,3,5,7-8,13H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine?
2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine has a molecular weight of 173.26 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-cyclopenta[a]inden-8b-amine is sourced from PubChem (CID 19107012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).