(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

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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).