3-hexyl-2-phenylcyclohexen-1-amine

C18H27N — CID 70105070

IUPAC3-hexyl-2-phenylcyclohexen-1-amine
SMILESCCCCCCC1CCCC(N)=C1c1ccccc1
InChIInChI=1S/C18H27N/c1-2-3-4-6-10-16-13-9-14-17(19)18(16)15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13-14,19H2,1H3
InChIKeyLSCJOVOPFFAUDU-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.13
Rot. Bonds6

About 3-hexyl-2-phenylcyclohexen-1-amine

3-hexyl-2-phenylcyclohexen-1-amine (PubChem CID 70105070) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-hexyl-2-phenylcyclohexen-1-amine.

Molecular Properties

Compound Name3-hexyl-2-phenylcyclohexen-1-amine
PubChem CID70105070
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-hexyl-2-phenylcyclohexen-1-amine
SMILESCCCCCCC1CCCC(N)=C1c1ccccc1
InChIInChI=1S/C18H27N/c1-2-3-4-6-10-16-13-9-14-17(19)18(16)15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13-14,19H2,1H3
InChIKeyLSCJOVOPFFAUDU-UHFFFAOYSA-N
XLogP5.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-phenylcyclohexen-1-amine?
The IUPAC name of 3-hexyl-2-phenylcyclohexen-1-amine (CID 70105070) is 3-hexyl-2-phenylcyclohexen-1-amine.
What is the SMILES notation for 3-hexyl-2-phenylcyclohexen-1-amine?
The canonical SMILES for 3-hexyl-2-phenylcyclohexen-1-amine is CCCCCCC1CCCC(N)=C1c1ccccc1.
What is the InChIKey of 3-hexyl-2-phenylcyclohexen-1-amine?
The InChIKey is LSCJOVOPFFAUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-3-4-6-10-16-13-9-14-17(19)18(16)15-11-7-5-8-12-15/h5,7-8,11-12,16H,2-4,6,9-10,13-14,19H2,1H3.
What are the key properties of 3-hexyl-2-phenylcyclohexen-1-amine?
3-hexyl-2-phenylcyclohexen-1-amine has a molecular weight of 257.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-phenylcyclohexen-1-amine is sourced from PubChem (CID 70105070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).