N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine

C19H27N3O — CID 54132845

IUPACN-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine
SMILESCOc1cc(NCC2CCCC2CN(C)C)c2ncccc2c1
InChIInChI=1S/C19H27N3O/c1-22(2)13-16-7-4-6-15(16)12-21-18-11-17(23-3)10-14-8-5-9-20-19(14)18/h5,8-11,15-16,21H,4,6-7,12-13H2,1-3H3
InChIKeyOXPGPPUDNPHYQL-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.63
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine

N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine (PubChem CID 54132845) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine
PubChem CID54132845
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine
SMILESCOc1cc(NCC2CCCC2CN(C)C)c2ncccc2c1
InChIInChI=1S/C19H27N3O/c1-22(2)13-16-7-4-6-15(16)12-21-18-11-17(23-3)10-14-8-5-9-20-19(14)18/h5,8-11,15-16,21H,4,6-7,12-13H2,1-3H3
InChIKeyOXPGPPUDNPHYQL-UHFFFAOYSA-N
XLogP3.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine (CID 54132845) is N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine is COc1cc(NCC2CCCC2CN(C)C)c2ncccc2c1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine?
The InChIKey is OXPGPPUDNPHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-22(2)13-16-7-4-6-15(16)12-21-18-11-17(23-3)10-14-8-5-9-20-19(14)18/h5,8-11,15-16,21H,4,6-7,12-13H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine?
N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine has a molecular weight of 313.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methoxyquinolin-8-amine is sourced from PubChem (CID 54132845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).