cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

C18H33NO — CID 142004617

IUPACcyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESC=CC1CCC(N)C2CCCCC12.OC1CCCCC1
InChIInChI=1S/C12H21N.C6H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11;7-6-4-2-1-3-5-6/h2,9-12H,1,3-8,13H2;6-7H,1-5H2
InChIKeyQNHCPTBTQUORSL-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.03
Rot. Bonds1

About cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (PubChem CID 142004617) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.

Molecular Properties

Compound Namecyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
PubChem CID142004617
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Namecyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESC=CC1CCC(N)C2CCCCC12.OC1CCCCC1
InChIInChI=1S/C12H21N.C6H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11;7-6-4-2-1-3-5-6/h2,9-12H,1,3-8,13H2;6-7H,1-5H2
InChIKeyQNHCPTBTQUORSL-UHFFFAOYSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The IUPAC name of cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (CID 142004617) is cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.
What is the SMILES notation for cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The canonical SMILES for cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is C=CC1CCC(N)C2CCCCC12.OC1CCCCC1.
What is the InChIKey of cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The InChIKey is QNHCPTBTQUORSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C6H12O/c1-2-9-7-8-12(13)11-6-4-3-5-10(9)11;7-6-4-2-1-3-5-6/h2,9-12H,1,3-8,13H2;6-7H,1-5H2.
What are the key properties of cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;4-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is sourced from PubChem (CID 142004617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).