4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide

C17H25N3O — CID 80649920

IUPAC4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H25N3O/c18-17(21)13-6-8-15(9-7-13)20-11-14-4-1-3-12-5-2-10-19-16(12)14/h1,3-4,13,15,19-20H,2,5-11H2,(H2,18,21)
InChIKeyUVUFEVWVPUBVGH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.18
Rot. Bonds4

About 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide

4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 80649920) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID80649920
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H25N3O/c18-17(21)13-6-8-15(9-7-13)20-11-14-4-1-3-12-5-2-10-19-16(12)14/h1,3-4,13,15,19-20H,2,5-11H2,(H2,18,21)
InChIKeyUVUFEVWVPUBVGH-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine
CID 80648894
N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
CID 81424228
4-[(2,3-dihydroxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61317470
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2,3-dihydrothiophen-3-amine
CID 80650427
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 112651890
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 80649220
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide (CID 80649920) is 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2cccc3c2NCCC3)CC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is UVUFEVWVPUBVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(21)13-6-8-15(9-7-13)20-11-14-4-1-3-12-5-2-10-19-16(12)14/h1,3-4,13,15,19-20H,2,5-11H2,(H2,18,21).
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide?
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 80649920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).