(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine

C17H28N2 — CID 143852280

IUPAC(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine
SMILESCC/C=C(\N)N(CCCC)CC(C)=C1C=CC=CC1
InChIInChI=1S/C17H28N2/c1-4-6-13-19(17(18)10-5-2)14-15(3)16-11-8-7-9-12-16/h7-11H,4-6,12-14,18H2,1-3H3/b16-15?,17-10+
InChIKeyQWMGDVKXHAQXAZ-FRUXSWJVSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds7

About (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine

(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine (PubChem CID 143852280) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine
PubChem CID143852280
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine
SMILESCC/C=C(\N)N(CCCC)CC(C)=C1C=CC=CC1
InChIInChI=1S/C17H28N2/c1-4-6-13-19(17(18)10-5-2)14-15(3)16-11-8-7-9-12-16/h7-11H,4-6,12-14,18H2,1-3H3/b16-15?,17-10+
InChIKeyQWMGDVKXHAQXAZ-FRUXSWJVSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-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)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine (CID 143852280) is (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine is CC/C=C(\N)N(CCCC)CC(C)=C1C=CC=CC1.
What is the InChIKey of (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine?
The InChIKey is QWMGDVKXHAQXAZ-FRUXSWJVSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-13-19(17(18)10-5-2)14-15(3)16-11-8-7-9-12-16/h7-11H,4-6,12-14,18H2,1-3H3/b16-15?,17-10+.
What are the key properties of (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine?
(E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-butyl-1-N'-(2-cyclohexa-2,4-dien-1-ylidenepropyl)but-1-ene-1,1-diamine is sourced from PubChem (CID 143852280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).