(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine

C8H18N2 — CID 143663182

IUPAC(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine
SMILESCCCN/C(N)=C(\C)CC
InChIInChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3/b8-7+
InChIKeyWPRAJUUHTDPDKN-BQYQJAHWSA-N
MW142.25 g/mol
LogP1.59
Rot. Bonds4

About (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine

(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine (PubChem CID 143663182) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine
PubChem CID143663182
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine
SMILESCCCN/C(N)=C(\C)CC
InChIInChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3/b8-7+
InChIKeyWPRAJUUHTDPDKN-BQYQJAHWSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-2-methyl-1-N'-propylbut-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)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The IUPAC name of (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine (CID 143663182) is (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine.
What is the SMILES notation for (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The canonical SMILES for (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine is CCCN/C(N)=C(\C)CC.
What is the InChIKey of (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
The InChIKey is WPRAJUUHTDPDKN-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-10-8(9)7(3)5-2/h10H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine?
(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine is sourced from PubChem (CID 143663182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).