(1Z)-3-methylbuta-1,3-diene-1,2-diamine

C5H10N2 — CID 142610484

IUPAC(1Z)-3-methylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(N)=C/N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h3H,1,6-7H2,2H3/b5-3-
InChIKeyZLISHCRBYJVJDH-HYXAFXHYSA-N
MW98.15 g/mol
LogP0.32
Rot. Bonds1

About (1Z)-3-methylbuta-1,3-diene-1,2-diamine

(1Z)-3-methylbuta-1,3-diene-1,2-diamine (PubChem CID 142610484) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is (1Z)-3-methylbuta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-3-methylbuta-1,3-diene-1,2-diamine
PubChem CID142610484
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name(1Z)-3-methylbuta-1,3-diene-1,2-diamine
SMILESC=C(C)/C(N)=C/N
InChIInChI=1S/C5H10N2/c1-4(2)5(7)3-6/h3H,1,6-7H2,2H3/b5-3-
InChIKeyZLISHCRBYJVJDH-HYXAFXHYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methylbuta-1,3-diene-1,2-diamine?
The IUPAC name of (1Z)-3-methylbuta-1,3-diene-1,2-diamine (CID 142610484) is (1Z)-3-methylbuta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z)-3-methylbuta-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z)-3-methylbuta-1,3-diene-1,2-diamine is C=C(C)/C(N)=C/N.
What is the InChIKey of (1Z)-3-methylbuta-1,3-diene-1,2-diamine?
The InChIKey is ZLISHCRBYJVJDH-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4(2)5(7)3-6/h3H,1,6-7H2,2H3/b5-3-.
What are the key properties of (1Z)-3-methylbuta-1,3-diene-1,2-diamine?
(1Z)-3-methylbuta-1,3-diene-1,2-diamine has a molecular weight of 98.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methylbuta-1,3-diene-1,2-diamine is sourced from PubChem (CID 142610484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).