(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine

C9H18N2 — CID 139554966

IUPAC(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
SMILES[H]/N=C/C(=C\CCC)CNCC
InChIInChI=1S/C9H18N2/c1-3-5-6-9(7-10)8-11-4-2/h6-7,10-11H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyLOTIEGVADXIRFH-KZZDLZNXSA-N
MW154.26 g/mol
LogP1.97
Rot. Bonds6

About (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine

(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine (PubChem CID 139554966) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
PubChem CID139554966
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
SMILES[H]/N=C/C(=C\CCC)CNCC
InChIInChI=1S/C9H18N2/c1-3-5-6-9(7-10)8-11-4-2/h6-7,10-11H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyLOTIEGVADXIRFH-KZZDLZNXSA-N
XLogP1.97
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-2-methanimidoylhex-2-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-2-methanimidoylhex-2-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine (CID 139554966) is (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine is [H]/N=C/C(=C\CCC)CNCC.
What is the InChIKey of (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine?
The InChIKey is LOTIEGVADXIRFH-KZZDLZNXSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-6-9(7-10)8-11-4-2/h6-7,10-11H,3-5,8H2,1-2H3/b9-6+,10-7+.
What are the key properties of (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine?
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine is sourced from PubChem (CID 139554966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).