ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine

C9H20N2 — CID 142192212

IUPACethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine
SMILESC/C=C(CNC)\N=C\C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(6-8-3)9-5-2;1-2/h4-5,8H,6H2,1-3H3;1-2H3/b7-4-,9-5+;
InChIKeyKLSSBKYHMFEAKH-GXTWMUOHSA-N
MW156.27 g/mol
LogP2.23
Rot. Bonds3

About ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine

ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine (PubChem CID 142192212) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine
PubChem CID142192212
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine
SMILESC/C=C(CNC)\N=C\C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(6-8-3)9-5-2;1-2/h4-5,8H,6H2,1-3H3;1-2H3/b7-4-,9-5+;
InChIKeyKLSSBKYHMFEAKH-GXTWMUOHSA-N
XLogP2.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-2-(ethylideneamino)-N-methylbut-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 ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine?
The IUPAC name of ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine (CID 142192212) is ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine?
The canonical SMILES for ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine is C/C=C(CNC)\N=C\C.CC.
What is the InChIKey of ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine?
The InChIKey is KLSSBKYHMFEAKH-GXTWMUOHSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-4-7(6-8-3)9-5-2;1-2/h4-5,8H,6H2,1-3H3;1-2H3/b7-4-,9-5+;.
What are the key properties of ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine?
ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(ethylideneamino)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 142192212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).