(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine

C7H14N2O — CID 139572287

IUPAC(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine
SMILESC=C(C)OC(C)/C(N)=C/N
InChIInChI=1S/C7H14N2O/c1-5(2)10-6(3)7(9)4-8/h4,6H,1,8-9H2,2-3H3/b7-4-
InChIKeyIQMUICKHVBAKIS-DAXSKMNVSA-N
MW142.20 g/mol
LogP0.68
Rot. Bonds3

About (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine

(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine (PubChem CID 139572287) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine
PubChem CID139572287
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine
SMILESC=C(C)OC(C)/C(N)=C/N
InChIInChI=1S/C7H14N2O/c1-5(2)10-6(3)7(9)4-8/h4,6H,1,8-9H2,2-3H3/b7-4-
InChIKeyIQMUICKHVBAKIS-DAXSKMNVSA-N
XLogP0.68
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-3-prop-1-en-2-yloxybut-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)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine?
The IUPAC name of (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine (CID 139572287) is (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine is C=C(C)OC(C)/C(N)=C/N.
What is the InChIKey of (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine?
The InChIKey is IQMUICKHVBAKIS-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)10-6(3)7(9)4-8/h4,6H,1,8-9H2,2-3H3/b7-4-.
What are the key properties of (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine?
(Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine has a molecular weight of 142.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-prop-1-en-2-yloxybut-1-ene-1,2-diamine is sourced from PubChem (CID 139572287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).