(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine

C10H19NO — CID 134402725

IUPAC(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine
SMILESCC/C=C/[C@H](NCC)C1OC1C
InChIInChI=1S/C10H19NO/c1-4-6-7-9(11-5-2)10-8(3)12-10/h6-11H,4-5H2,1-3H3/b7-6+/t8?,9-,10?/m0/s1
InChIKeyQYTHGOXXBSZMDR-LHHCCHKHSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine

(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine (PubChem CID 134402725) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine
PubChem CID134402725
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine
SMILESCC/C=C/[C@H](NCC)C1OC1C
InChIInChI=1S/C10H19NO/c1-4-6-7-9(11-5-2)10-8(3)12-10/h6-11H,4-5H2,1-3H3/b7-6+/t8?,9-,10?/m0/s1
InChIKeyQYTHGOXXBSZMDR-LHHCCHKHSA-N
XLogP1.72
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-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 (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine?
The IUPAC name of (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine (CID 134402725) is (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine.
What is the SMILES notation for (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine?
The canonical SMILES for (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine is CC/C=C/[C@H](NCC)C1OC1C.
What is the InChIKey of (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine?
The InChIKey is QYTHGOXXBSZMDR-LHHCCHKHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-9(11-5-2)10-8(3)12-10/h6-11H,4-5H2,1-3H3/b7-6+/t8?,9-,10?/m0/s1.
What are the key properties of (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine?
(E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-N-ethyl-1-(3-methyloxiran-2-yl)pent-2-en-1-amine is sourced from PubChem (CID 134402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).