N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

C17H27N3O — CID 106047714

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1CCNc2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(2)20(3)12-6-10-19-17(21)15-9-11-18-16-8-5-4-7-14(15)16/h4-5,7-8,13,15,18H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyVYSLOCZWELCWCI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.43
Rot. Bonds6

About N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106047714) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106047714
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1CCNc2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(2)20(3)12-6-10-19-17(21)15-9-11-18-16-8-5-4-7-14(15)16/h4-5,7-8,13,15,18H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyVYSLOCZWELCWCI-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106147953
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356184
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106047714) is N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC(C)N(C)CCCNC(=O)C1CCNc2ccccc21.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is VYSLOCZWELCWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)20(3)12-6-10-19-17(21)15-9-11-18-16-8-5-4-7-14(15)16/h4-5,7-8,13,15,18H,6,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106047714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).