1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine

C12H15N — CID 10374901

IUPAC1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
SMILESNC1Cc2cccc3c2C1CCC3
InChIInChI=1S/C12H15N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1,3,5,10-11H,2,4,6-7,13H2
InChIKeyBYSMHQKTZDAZEW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.99
Rot. Bonds

About 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine

1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine (PubChem CID 10374901) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine.

Molecular Properties

Compound Name1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
PubChem CID10374901
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine
SMILESNC1Cc2cccc3c2C1CCC3
InChIInChI=1S/C12H15N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1,3,5,10-11H,2,4,6-7,13H2
InChIKeyBYSMHQKTZDAZEW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine?
The IUPAC name of 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine (CID 10374901) is 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine.
What is the SMILES notation for 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine?
The canonical SMILES for 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine is NC1Cc2cccc3c2C1CCC3.
What is the InChIKey of 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine?
The InChIKey is BYSMHQKTZDAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1,3,5,10-11H,2,4,6-7,13H2.
What are the key properties of 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine?
1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7,8,8a-hexahydroacenaphthylen-1-amine is sourced from PubChem (CID 10374901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).