N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine

C19H26N2O — CID 82449789

IUPACN-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
SMILESCOc1ccc2nc(C(C)C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C19H26N2O/c1-13(2)19-10-14(12-20-15-6-4-5-7-15)17-11-16(22-3)8-9-18(17)21-19/h8-11,13,15,20H,4-7,12H2,1-3H3
InChIKeyZSMYODZWTJEOOF-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.40
Rot. Bonds5

About N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine

N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 82449789) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID82449789
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
SMILESCOc1ccc2nc(C(C)C)cc(CNC3CCCC3)c2c1
InChIInChI=1S/C19H26N2O/c1-13(2)19-10-14(12-20-15-6-4-5-7-15)17-11-16(22-3)8-9-18(17)21-19/h8-11,13,15,20H,4-7,12H2,1-3H3
InChIKeyZSMYODZWTJEOOF-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448549
N-[(2-chloro-4-methoxyphenyl)methyl]cyclopentanamine
CID 82292670
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine (CID 82449789) is N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine is COc1ccc2nc(C(C)C)cc(CNC3CCCC3)c2c1.
What is the InChIKey of N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is ZSMYODZWTJEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)19-10-14(12-20-15-6-4-5-7-15)17-11-16(22-3)8-9-18(17)21-19/h8-11,13,15,20H,4-7,12H2,1-3H3.
What are the key properties of N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine?
N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 298.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82449789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).