(Z,3S)-3-ethoxybut-1-ene-1,2-diamine

C6H14N2O — CID 163612548

IUPAC(Z,3S)-3-ethoxybut-1-ene-1,2-diamine
SMILESCCO[C@@H](C)/C(N)=C/N
InChIInChI=1S/C6H14N2O/c1-3-9-5(2)6(8)4-7/h4-5H,3,7-8H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyHHEMBUKSTTVCHO-YIWIKUPCSA-N
MW130.19 g/mol
LogP0.17
Rot. Bonds3

About (Z,3S)-3-ethoxybut-1-ene-1,2-diamine

(Z,3S)-3-ethoxybut-1-ene-1,2-diamine (PubChem CID 163612548) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (Z,3S)-3-ethoxybut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z,3S)-3-ethoxybut-1-ene-1,2-diamine
PubChem CID163612548
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(Z,3S)-3-ethoxybut-1-ene-1,2-diamine
SMILESCCO[C@@H](C)/C(N)=C/N
InChIInChI=1S/C6H14N2O/c1-3-9-5(2)6(8)4-7/h4-5H,3,7-8H2,1-2H3/b6-4-/t5-/m0/s1
InChIKeyHHEMBUKSTTVCHO-YIWIKUPCSA-N
XLogP0.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z,3S)-3-ethoxybut-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,3S)-3-ethoxybut-1-ene-1,2-diamine?
The IUPAC name of (Z,3S)-3-ethoxybut-1-ene-1,2-diamine (CID 163612548) is (Z,3S)-3-ethoxybut-1-ene-1,2-diamine.
What is the SMILES notation for (Z,3S)-3-ethoxybut-1-ene-1,2-diamine?
The canonical SMILES for (Z,3S)-3-ethoxybut-1-ene-1,2-diamine is CCO[C@@H](C)/C(N)=C/N.
What is the InChIKey of (Z,3S)-3-ethoxybut-1-ene-1,2-diamine?
The InChIKey is HHEMBUKSTTVCHO-YIWIKUPCSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-9-5(2)6(8)4-7/h4-5H,3,7-8H2,1-2H3/b6-4-/t5-/m0/s1.
What are the key properties of (Z,3S)-3-ethoxybut-1-ene-1,2-diamine?
(Z,3S)-3-ethoxybut-1-ene-1,2-diamine has a molecular weight of 130.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-ethoxybut-1-ene-1,2-diamine is sourced from PubChem (CID 163612548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).