N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

C17H25N3O — CID 43628447

IUPACN-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCCC3CCCCC32)c1
InChIInChI=1S/C17H25N3O/c18-12-13-5-3-8-15(11-13)19-17(21)20-10-4-7-14-6-1-2-9-16(14)20/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12,18H2,(H,19,21)
InChIKeyWZPYQXFQLSYAFF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.33
Rot. Bonds2

About N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide (PubChem CID 43628447) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
PubChem CID43628447
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCCC3CCCCC32)c1
InChIInChI=1S/C17H25N3O/c18-12-13-5-3-8-15(11-13)19-17(21)20-10-4-7-14-6-1-2-9-16(14)20/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12,18H2,(H,19,21)
InChIKeyWZPYQXFQLSYAFF-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide with MolForge

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62478156
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
(3aS,6aS)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778301
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(aminomethyl)phenyl]methanone
CID 43627930
ethyl 2-[3-[[(2R)-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carbonyl]amino]phenyl]acetate
CID 125142667
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide (CID 43628447) is N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide is NCc1cccc(NC(=O)N2CCCC3CCCCC32)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide?
The InChIKey is WZPYQXFQLSYAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-12-13-5-3-8-15(11-13)19-17(21)20-10-4-7-14-6-1-2-9-16(14)20/h3,5,8,11,14,16H,1-2,4,6-7,9-10,12,18H2,(H,19,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide?
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 43628447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).