4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

C12H23N — CID 164599276

IUPAC4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCCC1CCC(N)C2CCCCC12
InChIInChI=1S/C12H23N/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h9-12H,2-8,13H2,1H3
InChIKeyDPVUKSIQBINDCY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.94
Rot. Bonds1

About 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (PubChem CID 164599276) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
PubChem CID164599276
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCCC1CCC(N)C2CCCCC12
InChIInChI=1S/C12H23N/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h9-12H,2-8,13H2,1H3
InChIKeyDPVUKSIQBINDCY-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(4-amino-3-methylcyclohexyl)methane
CID 91555
(-)-Isopinocampheylamine
CID 11744832
(+)-Isopinocampheylamine
CID 20598745
Decahydronaphthalen-2-amine
CID 232602
2,6,6-Trimethyl-bicyclo(3.1.1)hept-3-ylamine
CID 426589
Decahydronaphthalen-2-amine hydrochloride
CID 24197753
(1R,2R,3R,5S)-(-)-Isopinocampheylamine
CID 12173149
Decahydronaphthalen-1-amine
CID 232603
Sbb061668
CID 4107113
3-((4-Aminocyclohexyl)methyl)-2-methylcyclohexylamine
CID 3020818
3-((4-Aminocyclohexyl)methyl)-4-methylcyclohexylamine
CID 3020819
5-((4-Aminocyclohexyl)methyl)-2-methylcyclohexylamine
CID 3020820

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The IUPAC name of 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (CID 164599276) is 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.
What is the SMILES notation for 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The canonical SMILES for 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is CCC1CCC(N)C2CCCCC12.
What is the InChIKey of 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The InChIKey is DPVUKSIQBINDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11/h9-12H,2-8,13H2,1H3.
What are the key properties of 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is sourced from PubChem (CID 164599276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).