(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine

C9H20N2O — CID 138614649

IUPAC(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine
SMILESCC/C=C(/C)NCCOCCN
InChIInChI=1S/C9H20N2O/c1-3-4-9(2)11-6-8-12-7-5-10/h4,11H,3,5-8,10H2,1-2H3/b9-4-
InChIKeyYZUZDYKMTHLNBK-WTKPLQERSA-N
MW172.27 g/mol
LogP0.87
Rot. Bonds7

About (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine

(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine (PubChem CID 138614649) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine
PubChem CID138614649
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine
SMILESCC/C=C(/C)NCCOCCN
InChIInChI=1S/C9H20N2O/c1-3-4-9(2)11-6-8-12-7-5-10/h4,11H,3,5-8,10H2,1-2H3/b9-4-
InChIKeyYZUZDYKMTHLNBK-WTKPLQERSA-N
XLogP0.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine 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)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?
The IUPAC name of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine (CID 138614649) is (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?
The canonical SMILES for (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine is CC/C=C(/C)NCCOCCN.
What is the InChIKey of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?
The InChIKey is YZUZDYKMTHLNBK-WTKPLQERSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-9(2)11-6-8-12-7-5-10/h4,11H,3,5-8,10H2,1-2H3/b9-4-.
What are the key properties of (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine?
(Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine has a molecular weight of 172.27 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(2-aminoethoxy)ethyl]pent-2-en-2-amine is sourced from PubChem (CID 138614649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).