(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine

C10H22N2 — CID 6450909

IUPAC(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine
SMILESCC(C)NC/C=C/CNC(C)C
InChIInChI=1S/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/b6-5+
InChIKeyXUHWXAYJBQMEAF-AATRIKPKSA-N
MW170.30 g/mol
LogP1.54
Rot. Bonds6

About (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine

(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine (PubChem CID 6450909) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine
PubChem CID6450909
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine
SMILESCC(C)NC/C=C/CNC(C)C
InChIInChI=1S/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/b6-5+
InChIKeyXUHWXAYJBQMEAF-AATRIKPKSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-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)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine (CID 6450909) is (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine is CC(C)NC/C=C/CNC(C)C.
What is the InChIKey of (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine?
The InChIKey is XUHWXAYJBQMEAF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)11-7-5-6-8-12-10(3)4/h5-6,9-12H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine?
(E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-di(propan-2-yl)but-2-ene-1,4-diamine is sourced from PubChem (CID 6450909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).