(Z)-2-butylbut-2-ene-1,1,3-triamine

C8H19N3 — CID 135293238

IUPAC(Z)-2-butylbut-2-ene-1,1,3-triamine
SMILESCCCC/C(=C(\C)N)C(N)N
InChIInChI=1S/C8H19N3/c1-3-4-5-7(6(2)9)8(10)11/h8H,3-5,9-11H2,1-2H3/b7-6-
InChIKeyQCEUHFWYFPHUSL-SREVYHEPSA-N
MW157.26 g/mol
LogP0.65
Rot. Bonds4

About (Z)-2-butylbut-2-ene-1,1,3-triamine

(Z)-2-butylbut-2-ene-1,1,3-triamine (PubChem CID 135293238) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-2-butylbut-2-ene-1,1,3-triamine.

Molecular Properties

Compound Name(Z)-2-butylbut-2-ene-1,1,3-triamine
PubChem CID135293238
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(Z)-2-butylbut-2-ene-1,1,3-triamine
SMILESCCCC/C(=C(\C)N)C(N)N
InChIInChI=1S/C8H19N3/c1-3-4-5-7(6(2)9)8(10)11/h8H,3-5,9-11H2,1-2H3/b7-6-
InChIKeyQCEUHFWYFPHUSL-SREVYHEPSA-N
XLogP0.65
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (Z)-2-butylbut-2-ene-1,1,3-triamine 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)-2-butylbut-2-ene-1,1,3-triamine?
The IUPAC name of (Z)-2-butylbut-2-ene-1,1,3-triamine (CID 135293238) is (Z)-2-butylbut-2-ene-1,1,3-triamine.
What is the SMILES notation for (Z)-2-butylbut-2-ene-1,1,3-triamine?
The canonical SMILES for (Z)-2-butylbut-2-ene-1,1,3-triamine is CCCC/C(=C(\C)N)C(N)N.
What is the InChIKey of (Z)-2-butylbut-2-ene-1,1,3-triamine?
The InChIKey is QCEUHFWYFPHUSL-SREVYHEPSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-4-5-7(6(2)9)8(10)11/h8H,3-5,9-11H2,1-2H3/b7-6-.
What are the key properties of (Z)-2-butylbut-2-ene-1,1,3-triamine?
(Z)-2-butylbut-2-ene-1,1,3-triamine has a molecular weight of 157.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-butylbut-2-ene-1,1,3-triamine is sourced from PubChem (CID 135293238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).