N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H24N2O — CID 107127829

IUPACN-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(CCCN)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(5-4-10-17)18-16(19)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,4-5,8-11,17H2,1H3,(H,18,19)
InChIKeyYZHMVFHKCDTYOV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds5

About N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127829) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127829
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(CCCN)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(5-4-10-17)18-16(19)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,4-5,8-11,17H2,1H3,(H,18,19)
InChIKeyYZHMVFHKCDTYOV-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 154865257
N-(1-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127262
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
N-[6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;ethane
CID 145061321
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126374
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide
CID 175838667

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127829) is N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(CCCN)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is YZHMVFHKCDTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(5-4-10-17)18-16(19)15-9-8-13-6-2-3-7-14(13)11-15/h2-3,6-7,12,15H,4-5,8-11,17H2,1H3,(H,18,19).
What are the key properties of N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).