3-ethyliminocyclohexen-1-amine

C8H14N2 — CID 167062166

IUPAC3-ethyliminocyclohexen-1-amine
SMILESCC/N=C1/C=C(N)CCC1
InChIInChI=1S/C8H14N2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5,9H2,1H3/b10-8+
InChIKeyYPJGKMUXEHJKLK-CSKARUKUSA-N
MW138.21 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyliminocyclohexen-1-amine

3-ethyliminocyclohexen-1-amine (PubChem CID 167062166) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethyliminocyclohexen-1-amine.

Molecular Properties

Compound Name3-ethyliminocyclohexen-1-amine
PubChem CID167062166
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-ethyliminocyclohexen-1-amine
SMILESCC/N=C1/C=C(N)CCC1
InChIInChI=1S/C8H14N2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5,9H2,1H3/b10-8+
InChIKeyYPJGKMUXEHJKLK-CSKARUKUSA-N
XLogP1.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyliminocyclohexen-1-amine?
The IUPAC name of 3-ethyliminocyclohexen-1-amine (CID 167062166) is 3-ethyliminocyclohexen-1-amine.
What is the SMILES notation for 3-ethyliminocyclohexen-1-amine?
The canonical SMILES for 3-ethyliminocyclohexen-1-amine is CC/N=C1/C=C(N)CCC1.
What is the InChIKey of 3-ethyliminocyclohexen-1-amine?
The InChIKey is YPJGKMUXEHJKLK-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5,9H2,1H3/b10-8+.
What are the key properties of 3-ethyliminocyclohexen-1-amine?
3-ethyliminocyclohexen-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyliminocyclohexen-1-amine is sourced from PubChem (CID 167062166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).