(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine

C8H16N2 — CID 88543575

IUPAC(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
SMILESC=CN/C(C)=C(\C)CCN
InChIInChI=1S/C8H16N2/c1-4-10-8(3)7(2)5-6-9/h4,10H,1,5-6,9H2,2-3H3/b8-7+
InChIKeyOGMSADXHFHOPJE-BQYQJAHWSA-N
MW140.23 g/mol
LogP1.36
Rot. Bonds4

About (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine

(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine (PubChem CID 88543575) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
PubChem CID88543575
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
SMILESC=CN/C(C)=C(\C)CCN
InChIInChI=1S/C8H16N2/c1-4-10-8(3)7(2)5-6-9/h4,10H,1,5-6,9H2,2-3H3/b8-7+
InChIKeyOGMSADXHFHOPJE-BQYQJAHWSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?
The IUPAC name of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine (CID 88543575) is (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine.
What is the SMILES notation for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?
The canonical SMILES for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine is C=CN/C(C)=C(\C)CCN.
What is the InChIKey of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?
The InChIKey is OGMSADXHFHOPJE-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-10-8(3)7(2)5-6-9/h4,10H,1,5-6,9H2,2-3H3/b8-7+.
What are the key properties of (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine?
(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine is sourced from PubChem (CID 88543575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).