(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine

C12H21NO — CID 79329300

IUPAC(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
SMILESCCNC/C(=C\C1CCC=CO1)CC
InChIInChI=1S/C12H21NO/c1-3-11(10-13-4-2)9-12-7-5-6-8-14-12/h6,8-9,12-13H,3-5,7,10H2,1-2H3/b11-9-
InChIKeyTZZHXLPZXIHZNL-LUAWRHEFSA-N
MW195.31 g/mol
LogP2.62
Rot. Bonds5

About (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine

(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine (PubChem CID 79329300) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
PubChem CID79329300
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
SMILESCCNC/C(=C\C1CCC=CO1)CC
InChIInChI=1S/C12H21NO/c1-3-11(10-13-4-2)9-12-7-5-6-8-14-12/h6,8-9,12-13H,3-5,7,10H2,1-2H3/b11-9-
InChIKeyTZZHXLPZXIHZNL-LUAWRHEFSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-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 (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine?
The IUPAC name of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine (CID 79329300) is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine.
What is the SMILES notation for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine?
The canonical SMILES for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine is CCNC/C(=C\C1CCC=CO1)CC.
What is the InChIKey of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine?
The InChIKey is TZZHXLPZXIHZNL-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-11(10-13-4-2)9-12-7-5-6-8-14-12/h6,8-9,12-13H,3-5,7,10H2,1-2H3/b11-9-.
What are the key properties of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine?
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine is sourced from PubChem (CID 79329300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).