(Z)-3-N-methylbut-2-ene-2,3-diamine

C5H12N2 — CID 58557481

IUPAC(Z)-3-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(C)=C(/C)N
InChIInChI=1S/C5H12N2/c1-4(6)5(2)7-3/h7H,6H2,1-3H3/b5-4-
InChIKeyUNKZIDMAMDHVMI-PLNGDYQASA-N
MW100.16 g/mol
LogP0.42
Rot. Bonds1

About (Z)-3-N-methylbut-2-ene-2,3-diamine

(Z)-3-N-methylbut-2-ene-2,3-diamine (PubChem CID 58557481) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (Z)-3-N-methylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name(Z)-3-N-methylbut-2-ene-2,3-diamine
PubChem CID58557481
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(Z)-3-N-methylbut-2-ene-2,3-diamine
SMILESCN/C(C)=C(/C)N
InChIInChI=1S/C5H12N2/c1-4(6)5(2)7-3/h7H,6H2,1-3H3/b5-4-
InChIKeyUNKZIDMAMDHVMI-PLNGDYQASA-N
XLogP0.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (Z)-3-N-methylbut-2-ene-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N,3-dimethylbut-2-en-2-amine;N,N-dimethylmethanamine
CID 171517799
(Z)-2-N-methyl-1-phenylprop-1-ene-1,2-diamine
CID 145093299
acetamide;bis(N-methylmethanamine)
CID 172694142
3-methyl-4-(methylamino)pent-3-en-2-one
CID 20584278
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
(3Z)-3-(ethylideneamino)-4-N-methylpenta-1,3-diene-2,4-diamine
CID 143366519
hydrazine;methylurea
CID 158581810
methylurea;hydrate
CID 141425619
methylurea;ruthenium
CID 159209634
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
3-aminobut-2-en-2-ol
CID 76571458
acetamide;alumane
CID 174673000

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-methylbut-2-ene-2,3-diamine?
The IUPAC name of (Z)-3-N-methylbut-2-ene-2,3-diamine (CID 58557481) is (Z)-3-N-methylbut-2-ene-2,3-diamine.
What is the SMILES notation for (Z)-3-N-methylbut-2-ene-2,3-diamine?
The canonical SMILES for (Z)-3-N-methylbut-2-ene-2,3-diamine is CN/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-N-methylbut-2-ene-2,3-diamine?
The InChIKey is UNKZIDMAMDHVMI-PLNGDYQASA-N. The full InChI is InChI=1S/C5H12N2/c1-4(6)5(2)7-3/h7H,6H2,1-3H3/b5-4-.
What are the key properties of (Z)-3-N-methylbut-2-ene-2,3-diamine?
(Z)-3-N-methylbut-2-ene-2,3-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methylbut-2-ene-2,3-diamine is sourced from PubChem (CID 58557481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).