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

C15H21NO — CID 79180443

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)C1COc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-11(2)8-14(16-3)13-9-12-6-4-5-7-15(12)17-10-13/h4-8,13-14,16H,9-10H2,1-3H3
InChIKeyOYLXODVWNFZUCQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.79
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 79180443) 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,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
PubChem CID79180443
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)C1COc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-11(2)8-14(16-3)13-9-12-6-4-5-7-15(12)17-10-13/h4-8,13-14,16H,9-10H2,1-3H3
InChIKeyOYLXODVWNFZUCQ-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049572
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65410299
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine (CID 79180443) is 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is OYLXODVWNFZUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)8-14(16-3)13-9-12-6-4-5-7-15(12)17-10-13/h4-8,13-14,16H,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.79, 3 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,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 79180443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).