N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine

C17H22N2S — CID 105378694

IUPACN-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
SMILESCc1ccc2cc(CNCC3CCSCC3)ccc2n1
InChIInChI=1S/C17H22N2S/c1-13-2-4-16-10-15(3-5-17(16)19-13)12-18-11-14-6-8-20-9-7-14/h2-5,10,14,18H,6-9,11-12H2,1H3
InChIKeyRKALLDARUOZYJU-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.78
Rot. Bonds4

About N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine

N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine (PubChem CID 105378694) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
PubChem CID105378694
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine
SMILESCc1ccc2cc(CNCC3CCSCC3)ccc2n1
InChIInChI=1S/C17H22N2S/c1-13-2-4-16-10-15(3-5-17(16)19-13)12-18-11-14-6-8-20-9-7-14/h2-5,10,14,18H,6-9,11-12H2,1H3
InChIKeyRKALLDARUOZYJU-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
3-cyclopentyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 106008790
N-[(3-bromo-4-methylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113344536
4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
CID 105378440
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
1-[[(2-methylquinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 105378527
N,N-dimethyl-2-[(2-methylquinolin-6-yl)methylamino]acetamide
CID 105378280

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine (CID 105378694) is N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine is Cc1ccc2cc(CNCC3CCSCC3)ccc2n1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine?
The InChIKey is RKALLDARUOZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-2-4-16-10-15(3-5-17(16)19-13)12-18-11-14-6-8-20-9-7-14/h2-5,10,14,18H,6-9,11-12H2,1H3.
What are the key properties of N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine?
N-[(2-methylquinolin-6-yl)methyl]-1-(thian-4-yl)methanamine has a molecular weight of 286.44 g/mol, XLogP of 3.78, 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-(thian-4-yl)methanamine is sourced from PubChem (CID 105378694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).