N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine

C15H21NO2 — CID 65081994

IUPACN-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NC1CCCOCC1
InChIInChI=1S/C15H21NO2/c1-2-6-15-13(5-1)14(8-11-18-15)16-12-4-3-9-17-10-7-12/h1-2,5-6,12,14,16H,3-4,7-11H2
InChIKeyWCAVEDVKZSNQLZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds2

About N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine

N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 65081994) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID65081994
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NC1CCCOCC1
InChIInChI=1S/C15H21NO2/c1-2-6-15-13(5-1)14(8-11-18-15)16-12-4-3-9-17-10-7-12/h1-2,5-6,12,14,16H,3-4,7-11H2
InChIKeyWCAVEDVKZSNQLZ-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105491701
8-(3,4-dihydro-2H-chromen-4-ylamino)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 126802857

Frequently Asked Questions

What is the IUPAC name of N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 65081994) is N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NC1CCCOCC1.
What is the InChIKey of N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WCAVEDVKZSNQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-15-13(5-1)14(8-11-18-15)16-12-4-3-9-17-10-7-12/h1-2,5-6,12,14,16H,3-4,7-11H2.
What are the key properties of N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 65081994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).