(E)-N-methylprop-1-ene-1,3-diamine

C4H10N2 — CID 18986481

IUPAC(E)-N-methylprop-1-ene-1,3-diamine
SMILESCN/C=C/CN
InChIInChI=1S/C4H10N2/c1-6-4-2-3-5/h2,4,6H,3,5H2,1H3/b4-2+
InChIKeyUAZOWXKNJBFQHH-DUXPYHPUSA-N
MW86.14 g/mol
LogP-0.32
Rot. Bonds2

About (E)-N-methylprop-1-ene-1,3-diamine

(E)-N-methylprop-1-ene-1,3-diamine (PubChem CID 18986481) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is (E)-N-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-methylprop-1-ene-1,3-diamine
PubChem CID18986481
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Name(E)-N-methylprop-1-ene-1,3-diamine
SMILESCN/C=C/CN
InChIInChI=1S/C4H10N2/c1-6-4-2-3-5/h2,4,6H,3,5H2,1H3/b4-2+
InChIKeyUAZOWXKNJBFQHH-DUXPYHPUSA-N
XLogP-0.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-methylprop-1-ene-1,3-diamine (CID 18986481) is (E)-N-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-methylprop-1-ene-1,3-diamine is CN/C=C/CN.
What is the InChIKey of (E)-N-methylprop-1-ene-1,3-diamine?
The InChIKey is UAZOWXKNJBFQHH-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H10N2/c1-6-4-2-3-5/h2,4,6H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-N-methylprop-1-ene-1,3-diamine?
(E)-N-methylprop-1-ene-1,3-diamine has a molecular weight of 86.14 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 18986481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).