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

C14H19NO — CID 79186066

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1COc2ccccc2C1
InChIInChI=1S/C14H19NO/c1-10(2)7-13(15)12-8-11-5-3-4-6-14(11)16-9-12/h3-6,12-13H,1,7-9,15H2,2H3
InChIKeySWPMWKCOIJVASO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine (PubChem CID 79186066) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
PubChem CID79186066
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1COc2ccccc2C1
InChIInChI=1S/C14H19NO/c1-10(2)7-13(15)12-8-11-5-3-4-6-14(11)16-9-12/h3-6,12-13H,1,7-9,15H2,2H3
InChIKeySWPMWKCOIJVASO-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
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)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
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)-2-methylbutan-1-ol
CID 79446324
1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 79180443
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65412050
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 104802615
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013
1-(3,4-dihydro-2H-chromen-3-yl)but-3-enylhydrazine
CID 105234005
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine (CID 79186066) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine?
The InChIKey is SWPMWKCOIJVASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)7-13(15)12-8-11-5-3-4-6-14(11)16-9-12/h3-6,12-13H,1,7-9,15H2,2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.53, 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)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 79186066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).