(E)-4-methyliminopent-2-ene-2,3-diamine

C6H13N3 — CID 89091275

IUPAC(E)-4-methyliminopent-2-ene-2,3-diamine
SMILESC/N=C(C)/C(N)=C(/C)N
InChIInChI=1S/C6H13N3/c1-4(7)6(8)5(2)9-3/h7-8H2,1-3H3/b6-4+,9-5+
InChIKeyBRSKELYLLPHPGP-REZHQCRGSA-N
MW127.19 g/mol
LogP0.23
Rot. Bonds1

About (E)-4-methyliminopent-2-ene-2,3-diamine

(E)-4-methyliminopent-2-ene-2,3-diamine (PubChem CID 89091275) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-4-methyliminopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-4-methyliminopent-2-ene-2,3-diamine
PubChem CID89091275
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(E)-4-methyliminopent-2-ene-2,3-diamine
SMILESC/N=C(C)/C(N)=C(/C)N
InChIInChI=1S/C6H13N3/c1-4(7)6(8)5(2)9-3/h7-8H2,1-3H3/b6-4+,9-5+
InChIKeyBRSKELYLLPHPGP-REZHQCRGSA-N
XLogP0.23
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyliminopent-2-ene-2,3-diamine?
The IUPAC name of (E)-4-methyliminopent-2-ene-2,3-diamine (CID 89091275) is (E)-4-methyliminopent-2-ene-2,3-diamine.
What is the SMILES notation for (E)-4-methyliminopent-2-ene-2,3-diamine?
The canonical SMILES for (E)-4-methyliminopent-2-ene-2,3-diamine is C/N=C(C)/C(N)=C(/C)N.
What is the InChIKey of (E)-4-methyliminopent-2-ene-2,3-diamine?
The InChIKey is BRSKELYLLPHPGP-REZHQCRGSA-N. The full InChI is InChI=1S/C6H13N3/c1-4(7)6(8)5(2)9-3/h7-8H2,1-3H3/b6-4+,9-5+.
What are the key properties of (E)-4-methyliminopent-2-ene-2,3-diamine?
(E)-4-methyliminopent-2-ene-2,3-diamine has a molecular weight of 127.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyliminopent-2-ene-2,3-diamine is sourced from PubChem (CID 89091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).