5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide

C14H20N2O2 — CID 54907654

IUPAC5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
SMILESNC(=O)CCCC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c15-12(4-1-5-14(16)17)10-6-7-13-11(9-10)3-2-8-18-13/h6-7,9,12H,1-5,8,15H2,(H2,16,17)
InChIKeyJZAIJODXBZCJIA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds5

About 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide (PubChem CID 54907654) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide.

Molecular Properties

Compound Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
PubChem CID54907654
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
SMILESNC(=O)CCCC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c15-12(4-1-5-14(16)17)10-6-7-13-11(9-10)3-2-8-18-13/h6-7,9,12H,1-5,8,15H2,(H2,16,17)
InChIKeyJZAIJODXBZCJIA-UHFFFAOYSA-N
XLogP1.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
CID 62932980
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide?
The IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide (CID 54907654) is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide.
What is the SMILES notation for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide?
The canonical SMILES for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide is NC(=O)CCCC(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide?
The InChIKey is JZAIJODXBZCJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12(4-1-5-14(16)17)10-6-7-13-11(9-10)3-2-8-18-13/h6-7,9,12H,1-5,8,15H2,(H2,16,17).
What are the key properties of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide?
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide is sourced from PubChem (CID 54907654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).