1-(4-prop-1-en-2-ylcyclohexyl)ethanimine

C11H19N — CID 143799451

IUPAC1-(4-prop-1-en-2-ylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C(=C)C)CC1
InChIInChI=1S/C11H19N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12H,1,4-7H2,2-3H3/b12-9+
InChIKeyBIEHGBGPPCFZQB-FMIVXFBMSA-N
MW165.28 g/mol
LogP3.41
Rot. Bonds2

About 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine

1-(4-prop-1-en-2-ylcyclohexyl)ethanimine (PubChem CID 143799451) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine.

Molecular Properties

Compound Name1-(4-prop-1-en-2-ylcyclohexyl)ethanimine
PubChem CID143799451
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(4-prop-1-en-2-ylcyclohexyl)ethanimine
SMILES[H]/N=C(\C)C1CCC(C(=C)C)CC1
InChIInChI=1S/C11H19N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12H,1,4-7H2,2-3H3/b12-9+
InChIKeyBIEHGBGPPCFZQB-FMIVXFBMSA-N
XLogP3.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine?
The IUPAC name of 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine (CID 143799451) is 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine.
What is the SMILES notation for 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine?
The canonical SMILES for 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine is [H]/N=C(\C)C1CCC(C(=C)C)CC1.
What is the InChIKey of 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine?
The InChIKey is BIEHGBGPPCFZQB-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h10-12H,1,4-7H2,2-3H3/b12-9+.
What are the key properties of 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine?
1-(4-prop-1-en-2-ylcyclohexyl)ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-1-en-2-ylcyclohexyl)ethanimine is sourced from PubChem (CID 143799451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).