2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile

C17H20N4 — CID 79113317

IUPAC2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCC(N)CC1
InChIInChI=1S/C17H20N4/c1-21(14-8-6-13(19)7-9-14)17-10-12(11-18)15-4-2-3-5-16(15)20-17/h2-5,10,13-14H,6-9,19H2,1H3
InChIKeyXFLORCQQUSPOLF-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.81
Rot. Bonds2

About 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile

2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile (PubChem CID 79113317) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
PubChem CID79113317
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile
SMILESCN(c1cc(C#N)c2ccccc2n1)C1CCC(N)CC1
InChIInChI=1S/C17H20N4/c1-21(14-8-6-13(19)7-9-14)17-10-12(11-18)15-4-2-3-5-16(15)20-17/h2-5,10,13-14H,6-9,19H2,1H3
InChIKeyXFLORCQQUSPOLF-UHFFFAOYSA-N
XLogP2.81
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Aminoquinoline-3-carbonitrile
CID 268505
N-Methylquipazine
CID 5013
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Senexin A
CID 56927063
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-Methylquinolin-2-amine
CID 231935

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile (CID 79113317) is 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile is CN(c1cc(C#N)c2ccccc2n1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile?
The InChIKey is XFLORCQQUSPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-21(14-8-6-13(19)7-9-14)17-10-12(11-18)15-4-2-3-5-16(15)20-17/h2-5,10,13-14H,6-9,19H2,1H3.
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile?
2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 79113317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).