(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine

C7H15N3 — CID 144912796

IUPAC(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine
SMILESC/N=C/C(N)=C(\N)C(C)C
InChIInChI=1S/C7H15N3/c1-5(2)7(9)6(8)4-10-3/h4-5H,8-9H2,1-3H3/b7-6+,10-4+
InChIKeyZPACYRUKLFEJMT-PKOYOFPESA-N
MW141.22 g/mol
LogP0.47
Rot. Bonds2

About (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine

(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine (PubChem CID 144912796) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine
PubChem CID144912796
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine
SMILESC/N=C/C(N)=C(\N)C(C)C
InChIInChI=1S/C7H15N3/c1-5(2)7(9)6(8)4-10-3/h4-5H,8-9H2,1-3H3/b7-6+,10-4+
InChIKeyZPACYRUKLFEJMT-PKOYOFPESA-N
XLogP0.47
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine?
The IUPAC name of (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine (CID 144912796) is (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine.
What is the SMILES notation for (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine?
The canonical SMILES for (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine is C/N=C/C(N)=C(\N)C(C)C.
What is the InChIKey of (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine?
The InChIKey is ZPACYRUKLFEJMT-PKOYOFPESA-N. The full InChI is InChI=1S/C7H15N3/c1-5(2)7(9)6(8)4-10-3/h4-5H,8-9H2,1-3H3/b7-6+,10-4+.
What are the key properties of (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine?
(E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine has a molecular weight of 141.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-methyliminopent-2-ene-2,3-diamine is sourced from PubChem (CID 144912796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).