(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine

C10H20N2 — CID 142887633

IUPAC(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine
SMILESC/C=C\C(CCNCC)=N\CC
InChIInChI=1S/C10H20N2/c1-4-7-10(12-6-3)8-9-11-5-2/h4,7,11H,5-6,8-9H2,1-3H3/b7-4-,12-10-
InChIKeyRKKHJUPJIIIQIV-BXOIZCENSA-N
MW168.28 g/mol
LogP2.02
Rot. Bonds6

About (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine

(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine (PubChem CID 142887633) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine
PubChem CID142887633
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine
SMILESC/C=C\C(CCNCC)=N\CC
InChIInChI=1S/C10H20N2/c1-4-7-10(12-6-3)8-9-11-5-2/h4,7,11H,5-6,8-9H2,1-3H3/b7-4-,12-10-
InChIKeyRKKHJUPJIIIQIV-BXOIZCENSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine?
The IUPAC name of (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine (CID 142887633) is (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine is C/C=C\C(CCNCC)=N\CC.
What is the InChIKey of (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine?
The InChIKey is RKKHJUPJIIIQIV-BXOIZCENSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-7-10(12-6-3)8-9-11-5-2/h4,7,11H,5-6,8-9H2,1-3H3/b7-4-,12-10-.
What are the key properties of (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine?
(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-3-ethyliminohex-4-en-1-amine is sourced from PubChem (CID 142887633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).