[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine

C11H19N — CID 138739718

IUPAC[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine
SMILESNCC1=CC2CCCC[C@@H]2CC1
InChIInChI=1S/C11H19N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h7,10-11H,1-6,8,12H2/t10-,11?/m1/s1
InChIKeyAJMAZTUPHFEPGF-NFJWQWPMSA-N
MW165.28 g/mol
LogP2.47
Rot. Bonds1

About [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine

[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine (PubChem CID 138739718) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine
PubChem CID138739718
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine
SMILESNCC1=CC2CCCC[C@@H]2CC1
InChIInChI=1S/C11H19N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h7,10-11H,1-6,8,12H2/t10-,11?/m1/s1
InChIKeyAJMAZTUPHFEPGF-NFJWQWPMSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

2-Naphthalenamine, 1,2,4a,5,6,7,8,8a-octahydro-4a-methyl-
CID 572962
gamma,4-Dimethylcyclohexene-1-propan-1-amine
CID 13574688
(4aS)-3-fluoro-4-methyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-amine
CID 139456278
Cyclohexen-1-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 113860991
2-(2-Bicyclo[2.2.2]oct-2-enyl)ethylazanium
CID 21675350
2-[1-(2-Aminoethyl)cyclohexyl]-2-(cyclohexen-1-yl)ethanamine
CID 21453022
1,2,4a,5,6,7,8,8a-Octahydronaphthalen-2-amine
CID 21522737
6-(4-Methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
CID 22175151
4-(Cyclohexylmethyl)cyclohex-3-en-1-amine
CID 53668050
(2S)-2-[(4aS,5S,8aS)-5,8a-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl]propan-1-amine
CID 54172537
(4aS,8aR)-6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
CID 59879318
6-(2-Bicyclo[2.2.2]oct-5-enyl)hexan-1-amine
CID 60015048

Frequently Asked Questions

What is the IUPAC name of [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine?
The IUPAC name of [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine (CID 138739718) is [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine?
The canonical SMILES for [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine is NCC1=CC2CCCC[C@@H]2CC1.
What is the InChIKey of [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine?
The InChIKey is AJMAZTUPHFEPGF-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H19N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h7,10-11H,1-6,8,12H2/t10-,11?/m1/s1.
What are the key properties of [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine?
[(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 138739718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).