N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine

C21H30N2 — CID 82448779

IUPACN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc2nc(C(C)(C)C)cc(CNC3CCCC3)c2cc1C
InChIInChI=1S/C21H30N2/c1-14-10-18-16(13-22-17-8-6-7-9-17)12-20(21(3,4)5)23-19(18)11-15(14)2/h10-12,17,22H,6-9,13H2,1-5H3
InChIKeyDNZOOYMYUBMSKK-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.18
Rot. Bonds3

About N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine

N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 82448779) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID82448779
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc2nc(C(C)(C)C)cc(CNC3CCCC3)c2cc1C
InChIInChI=1S/C21H30N2/c1-14-10-18-16(13-22-17-8-6-7-9-17)12-20(21(3,4)5)23-19(18)11-15(14)2/h10-12,17,22H,6-9,13H2,1-5H3
InChIKeyDNZOOYMYUBMSKK-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
N-[(5-tert-butyl-2-methylphenyl)methyl]cyclohexanamine
CID 82132708
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448549
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclohexanamine
CID 857469
N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82449372
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372
N-[(2-methoxy-4,5-dimethylphenyl)methyl]cyclobutanamine
CID 82493922
N-[(5-bromo-3-methyl-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 171919480
N-[(4-methylthiophen-3-yl)methyl]cycloheptanamine
CID 79803205
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine (CID 82448779) is N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine is Cc1cc2nc(C(C)(C)C)cc(CNC3CCCC3)c2cc1C.
What is the InChIKey of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is DNZOOYMYUBMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-14-10-18-16(13-22-17-8-6-7-9-17)12-20(21(3,4)5)23-19(18)11-15(14)2/h10-12,17,22H,6-9,13H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine?
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 310.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82448779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).