(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine

C12H26N4 — CID 88714588

IUPAC(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
SMILESC/C=C(/CNCCNC/C(=C/C)NC)NC
InChIInChI=1S/C12H26N4/c1-5-11(13-3)9-15-7-8-16-10-12(6-2)14-4/h5-6,13-16H,7-10H2,1-4H3/b11-5-,12-6-
InChIKeyJXELUNGUUCYXCI-CBIKUMSCSA-N
MW226.37 g/mol
LogP0.41
Rot. Bonds9

About (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine

(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine (PubChem CID 88714588) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
PubChem CID88714588
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
SMILESC/C=C(/CNCCNC/C(=C/C)NC)NC
InChIInChI=1S/C12H26N4/c1-5-11(13-3)9-15-7-8-16-10-12(6-2)14-4/h5-6,13-16H,7-10H2,1-4H3/b11-5-,12-6-
InChIKeyJXELUNGUUCYXCI-CBIKUMSCSA-N
XLogP0.41
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine (CID 88714588) is (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine is C/C=C(/CNCCNC/C(=C/C)NC)NC.
What is the InChIKey of (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The InChIKey is JXELUNGUUCYXCI-CBIKUMSCSA-N. The full InChI is InChI=1S/C12H26N4/c1-5-11(13-3)9-15-7-8-16-10-12(6-2)14-4/h5-6,13-16H,7-10H2,1-4H3/b11-5-,12-6-.
What are the key properties of (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
(Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine has a molecular weight of 226.37 g/mol, XLogP of 0.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-methyl-1-N-[2-[[(Z)-2-(methylamino)but-2-enyl]amino]ethyl]but-2-ene-1,2-diamine is sourced from PubChem (CID 88714588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).