N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine

C16H22N2O — CID 80703435

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc2cccc(OC)c2n1
InChIInChI=1S/C16H22N2O/c1-4-12(2)10-17-11-14-9-8-13-6-5-7-15(19-3)16(13)18-14/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyCDHFCIUHCIDDMK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.38
Rot. Bonds6

About N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine

N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine (PubChem CID 80703435) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
PubChem CID80703435
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1ccc2cccc(OC)c2n1
InChIInChI=1S/C16H22N2O/c1-4-12(2)10-17-11-14-9-8-13-6-5-7-15(19-3)16(13)18-14/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyCDHFCIUHCIDDMK-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826
1-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]pentan-2-amine
CID 80703162
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine (CID 80703435) is N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1ccc2cccc(OC)c2n1.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is CDHFCIUHCIDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-12(2)10-17-11-14-9-8-13-6-5-7-15(19-3)16(13)18-14/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine?
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 80703435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).