N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine

C17H22N2 — CID 82448124

IUPACN-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1ccc2nc(C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C17H22N2/c1-12-7-8-17-16(9-12)14(10-13(2)19-17)11-18-15-5-3-4-6-15/h7-10,15,18H,3-6,11H2,1-2H3
InChIKeyNRUHQIYOPROMKB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine

N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 82448124) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID82448124
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1ccc2nc(C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C17H22N2/c1-12-7-8-17-16(9-12)14(10-13(2)19-17)11-18-15-5-3-4-6-15/h7-10,15,18H,3-6,11H2,1-2H3
InChIKeyNRUHQIYOPROMKB-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82449372
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448779
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448040
N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82449789
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448549
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
CID 167260845
1-(6-chloro-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449106

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine (CID 82448124) is N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine is Cc1ccc2nc(C)cc(CNC3CCCC3)c2c1.
What is the InChIKey of N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is NRUHQIYOPROMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-8-17-16(9-12)14(10-13(2)19-17)11-18-15-5-3-4-6-15/h7-10,15,18H,3-6,11H2,1-2H3.
What are the key properties of N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine?
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 254.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82448124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).