N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine

C13H25N3 — CID 134406371

IUPACN'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
SMILESC/C=C(\C=N\C(C)=C/C)CNCCNCC
InChIInChI=1S/C13H25N3/c1-5-12(4)16-11-13(6-2)10-15-9-8-14-7-3/h5-6,11,14-15H,7-10H2,1-4H3/b12-5-,13-6-,16-11+
InChIKeyBKSVIDXREAHUQB-QVAUJSODSA-N
MW223.36 g/mol
LogP2.13
Rot. Bonds8

About N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine

N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine (PubChem CID 134406371) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
PubChem CID134406371
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine
SMILESC/C=C(\C=N\C(C)=C/C)CNCCNCC
InChIInChI=1S/C13H25N3/c1-5-12(4)16-11-13(6-2)10-15-9-8-14-7-3/h5-6,11,14-15H,7-10H2,1-4H3/b12-5-,13-6-,16-11+
InChIKeyBKSVIDXREAHUQB-QVAUJSODSA-N
XLogP2.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine 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 N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine (CID 134406371) is N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine is C/C=C(\C=N\C(C)=C/C)CNCCNCC.
What is the InChIKey of N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine?
The InChIKey is BKSVIDXREAHUQB-QVAUJSODSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-12(4)16-11-13(6-2)10-15-9-8-14-7-3/h5-6,11,14-15H,7-10H2,1-4H3/b12-5-,13-6-,16-11+.
What are the key properties of N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine?
N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-[[(Z)-but-2-en-2-yl]iminomethyl]but-2-enyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 134406371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).