1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine

C15H21NO — CID 65412063

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1COc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-3-7-14(16-4-2)13-10-12-8-5-6-9-15(12)17-11-13/h3,5-6,8-9,13-14,16H,1,4,7,10-11H2,2H3
InChIKeyDXBRKFZMDLHXHW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine

1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine (PubChem CID 65412063) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
PubChem CID65412063
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)C1COc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-3-7-14(16-4-2)13-10-12-8-5-6-9-15(12)17-11-13/h3,5-6,8-9,13-14,16H,1,4,7,10-11H2,2H3
InChIKeyDXBRKFZMDLHXHW-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-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 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine (CID 65412063) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine is C=CCC(NCC)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine?
The InChIKey is DXBRKFZMDLHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-7-14(16-4-2)13-10-12-8-5-6-9-15(12)17-11-13/h3,5-6,8-9,13-14,16H,1,4,7,10-11H2,2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 65412063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).