5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine

C18H26N2 — CID 78942763

IUPAC5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
SMILESCc1cc(CNC(C)CCC(C)C)c2ccccc2n1
InChIInChI=1S/C18H26N2/c1-13(2)9-10-14(3)19-12-16-11-15(4)20-18-8-6-5-7-17(16)18/h5-8,11,13-14,19H,9-10,12H2,1-4H3
InChIKeyCRPWBJKVYUKOMA-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.46
Rot. Bonds6

About 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine

5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine (PubChem CID 78942763) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
PubChem CID78942763
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
SMILESCc1cc(CNC(C)CCC(C)C)c2ccccc2n1
InChIInChI=1S/C18H26N2/c1-13(2)9-10-14(3)19-12-16-11-15(4)20-18-8-6-5-7-17(16)18/h5-8,11,13-14,19H,9-10,12H2,1-4H3
InChIKeyCRPWBJKVYUKOMA-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-[(2-methylquinolin-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78943042
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine (CID 78942763) is 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine is Cc1cc(CNC(C)CCC(C)C)c2ccccc2n1.
What is the InChIKey of 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine?
The InChIKey is CRPWBJKVYUKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(2)9-10-14(3)19-12-16-11-15(4)20-18-8-6-5-7-17(16)18/h5-8,11,13-14,19H,9-10,12H2,1-4H3.
What are the key properties of 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine?
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 78942763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).