2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine

C13H22N2 — CID 174098593

IUPAC2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine
SMILESC=CC1CCC(C(=CN)/C=N/CC)CC1
InChIInChI=1S/C13H22N2/c1-3-11-5-7-12(8-6-11)13(9-14)10-15-4-2/h3,9-12H,1,4-8,14H2,2H3/b13-9?,15-10+
InChIKeyHXNQHCYNQJMMDH-WAGGCFASSA-N
MW206.33 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine

2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine (PubChem CID 174098593) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine
PubChem CID174098593
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine
SMILESC=CC1CCC(C(=CN)/C=N/CC)CC1
InChIInChI=1S/C13H22N2/c1-3-11-5-7-12(8-6-11)13(9-14)10-15-4-2/h3,9-12H,1,4-8,14H2,2H3/b13-9?,15-10+
InChIKeyHXNQHCYNQJMMDH-WAGGCFASSA-N
XLogP2.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine?
The IUPAC name of 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine (CID 174098593) is 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine is C=CC1CCC(C(=CN)/C=N/CC)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine?
The InChIKey is HXNQHCYNQJMMDH-WAGGCFASSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-11-5-7-12(8-6-11)13(9-14)10-15-4-2/h3,9-12H,1,4-8,14H2,2H3/b13-9?,15-10+.
What are the key properties of 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine?
2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine is sourced from PubChem (CID 174098593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).