N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine

C17H22N2O — CID 105378407

IUPACN-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ccc2cc(CNCC3CCCCO3)ccc2n1
InChIInChI=1S/C17H22N2O/c1-13-5-7-15-10-14(6-8-17(15)19-13)11-18-12-16-4-2-3-9-20-16/h5-8,10,16,18H,2-4,9,11-12H2,1H3
InChIKeyXLLNNLYXYFGACD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds4

About N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 105378407) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID105378407
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1ccc2cc(CNCC3CCCCO3)ccc2n1
InChIInChI=1S/C17H22N2O/c1-13-5-7-15-10-14(6-8-17(15)19-13)11-18-12-16-4-2-3-9-20-16/h5-8,10,16,18H,2-4,9,11-12H2,1H3
InChIKeyXLLNNLYXYFGACD-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
CID 105378694
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]oxan-4-amine
CID 105378639
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine (CID 105378407) is N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1ccc2cc(CNCC3CCCCO3)ccc2n1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is XLLNNLYXYFGACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-7-15-10-14(6-8-17(15)19-13)11-18-12-16-4-2-3-9-20-16/h5-8,10,16,18H,2-4,9,11-12H2,1H3.
What are the key properties of N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 105378407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).