4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine

C11H19N — CID 572962

IUPAC4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine
SMILESCC12C=CC(N)CC1CCCC2
InChIInChI=1S/C11H19N/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyIAQJHTQLRTUUKN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.47
Rot. Bonds

About 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine

4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine (PubChem CID 572962) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine
PubChem CID572962
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine
SMILESCC12C=CC(N)CC1CCCC2
InChIInChI=1S/C11H19N/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h5,7,9-10H,2-4,6,8,12H2,1H3
InChIKeyIAQJHTQLRTUUKN-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine?
The IUPAC name of 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine (CID 572962) is 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine.
What is the SMILES notation for 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine?
The canonical SMILES for 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine is CC12C=CC(N)CC1CCCC2.
What is the InChIKey of 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine?
The InChIKey is IAQJHTQLRTUUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h5,7,9-10H,2-4,6,8,12H2,1H3.
What are the key properties of 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine?
4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-2,5,6,7,8,8a-hexahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 572962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).