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

C15H22N2O — CID 63755728

IUPACN-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CN)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10,16H2,1H3,(H,17,18)
InChIKeyZDKCRPAGZUNFNN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds4

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

N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 63755728) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID63755728
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CN)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10,16H2,1H3,(H,17,18)
InChIKeyZDKCRPAGZUNFNN-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(2-amino-1-cyclohexylethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 119591602
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-(1-aminobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214006
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103716538

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 63755728) is N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(CN)NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZDKCRPAGZUNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12(10-16)17-15(18)14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14H,2,5,7,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 63755728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).