(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine

C8H18N2 — CID 121420133

IUPAC(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine
SMILESCCCCN/C=C(/C)NC
InChIInChI=1S/C8H18N2/c1-4-5-6-10-7-8(2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7-
InChIKeyRYAJDBJJCZFIIQ-FPLPWBNLSA-N
MW142.25 g/mol
LogP1.46
Rot. Bonds5

About (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine

(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 121420133) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine
PubChem CID121420133
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine
SMILESCCCCN/C=C(/C)NC
InChIInChI=1S/C8H18N2/c1-4-5-6-10-7-8(2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7-
InChIKeyRYAJDBJJCZFIIQ-FPLPWBNLSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-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 (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine (CID 121420133) is (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine is CCCCN/C=C(/C)NC.
What is the InChIKey of (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is RYAJDBJJCZFIIQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-10-7-8(2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-butyl-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 121420133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).