3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine

C17H24N2 — CID 105378393

IUPAC3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H24N2/c1-5-12(2)14(4)18-11-15-7-9-17-16(10-15)8-6-13(3)19-17/h6-10,12,14,18H,5,11H2,1-4H3
InChIKeyZWLXSMNTWWAKHJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.07
Rot. Bonds5

About 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine

3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine (PubChem CID 105378393) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
PubChem CID105378393
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H24N2/c1-5-12(2)14(4)18-11-15-7-9-17-16(10-15)8-6-13(3)19-17/h6-10,12,14,18H,5,11H2,1-4H3
InChIKeyZWLXSMNTWWAKHJ-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
CID 105378496
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
6-methyl-2-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 78928839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine (CID 105378393) is 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine is CCC(C)C(C)NCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine?
The InChIKey is ZWLXSMNTWWAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-12(2)14(4)18-11-15-7-9-17-16(10-15)8-6-13(3)19-17/h6-10,12,14,18H,5,11H2,1-4H3.
What are the key properties of 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine?
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine has a molecular weight of 256.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine is sourced from PubChem (CID 105378393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).