(E)-3-methylbut-1-ene-1,2-diamine

C5H12N2 — CID 89203497

IUPAC(E)-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C\N
InChIInChI=1S/C5H12N2/c1-4(2)5(7)3-6/h3-4H,6-7H2,1-2H3/b5-3+
InChIKeyHUNSHXGWGKJJKD-HWKANZROSA-N
MW100.16 g/mol
LogP0.40
Rot. Bonds1

About (E)-3-methylbut-1-ene-1,2-diamine

(E)-3-methylbut-1-ene-1,2-diamine (PubChem CID 89203497) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-3-methylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-methylbut-1-ene-1,2-diamine
PubChem CID89203497
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(E)-3-methylbut-1-ene-1,2-diamine
SMILESCC(C)/C(N)=C\N
InChIInChI=1S/C5H12N2/c1-4(2)5(7)3-6/h3-4H,6-7H2,1-2H3/b5-3+
InChIKeyHUNSHXGWGKJJKD-HWKANZROSA-N
XLogP0.40
TPSA52.04 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylbut-1-ene-1,2-diamine?
The IUPAC name of (E)-3-methylbut-1-ene-1,2-diamine (CID 89203497) is (E)-3-methylbut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-3-methylbut-1-ene-1,2-diamine?
The canonical SMILES for (E)-3-methylbut-1-ene-1,2-diamine is CC(C)/C(N)=C\N.
What is the InChIKey of (E)-3-methylbut-1-ene-1,2-diamine?
The InChIKey is HUNSHXGWGKJJKD-HWKANZROSA-N. The full InChI is InChI=1S/C5H12N2/c1-4(2)5(7)3-6/h3-4H,6-7H2,1-2H3/b5-3+.
What are the key properties of (E)-3-methylbut-1-ene-1,2-diamine?
(E)-3-methylbut-1-ene-1,2-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylbut-1-ene-1,2-diamine is sourced from PubChem (CID 89203497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).