(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine

C9H17NO — CID 82837591

IUPAC(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCCNC/C=C/C1CCCO1
InChIInChI=1S/C9H17NO/c1-2-10-7-3-5-9-6-4-8-11-9/h3,5,9-10H,2,4,6-8H2,1H3/b5-3+
InChIKeyFQSPRZWHPJMOBN-HWKANZROSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine

(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 82837591) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID82837591
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCCNC/C=C/C1CCCO1
InChIInChI=1S/C9H17NO/c1-2-10-7-3-5-9-6-4-8-11-9/h3,5,9-10H,2,4,6-8H2,1H3/b5-3+
InChIKeyFQSPRZWHPJMOBN-HWKANZROSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-3-(oxolan-2-yl)prop-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

Related Compounds

CID 58451778
CID 58451778
CID 58684193
CID 58684193
CID 89073845
CID 89073845
CID 144515548
CID 144515548
CID 145602396
CID 145602396
CID 79347253
CID 79347253
CID 79347559
CID 79347559
CID 79347814
CID 79347814
CID 79591304
CID 79591304
CID 79591596
CID 79591596
CID 82836809
CID 82836809
CID 82836810
CID 82836810

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine (CID 82837591) is (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine is CCNC/C=C/C1CCCO1.
What is the InChIKey of (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is FQSPRZWHPJMOBN-HWKANZROSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-7-3-5-9-6-4-8-11-9/h3,5,9-10H,2,4,6-8H2,1H3/b5-3+.
What are the key properties of (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine?
(E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82837591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).