N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide

C17H21N3 — CID 3018069

IUPACN'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide
SMILESCc1cc(/N=C(\N)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3/c1-12-11-16(14-9-5-6-10-15(14)19-12)20-17(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20)
InChIKeyIOTYOYUISIWYHG-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.11
Rot. Bonds2

About N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide

N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide (PubChem CID 3018069) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide
PubChem CID3018069
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide
SMILESCc1cc(/N=C(\N)C2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3/c1-12-11-16(14-9-5-6-10-15(14)19-12)20-17(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20)
InChIKeyIOTYOYUISIWYHG-UHFFFAOYSA-N
XLogP4.11
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-naphthalen-1-ylcyclopentanecarboximidamide
CID 63173973
N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
CID 63175680
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
2-(1H-benzimidazol-2-yl)-1-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
CID 57353010
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
2-(1,3-benzothiazol-2-yl)-1-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
CID 57353009
N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
CID 63175617
N'-quinolin-5-ylcyclopropanecarboximidamide
CID 63174319
N'-quinolin-8-ylcyclohexanecarboximidamide
CID 63174574
[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide (CID 3018069) is N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide is Cc1cc(/N=C(\N)C2CCCCC2)c2ccccc2n1.
What is the InChIKey of N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide?
The InChIKey is IOTYOYUISIWYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-11-16(14-9-5-6-10-15(14)19-12)20-17(18)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20).
What are the key properties of N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide?
N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide has a molecular weight of 267.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylquinolin-4-yl)cyclohexanecarboximidamide is sourced from PubChem (CID 3018069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).