2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine

C17H24N2 — CID 78942769

IUPAC2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
SMILESCCC(NCc1cc(C)nc2ccccc12)C(C)C
InChIInChI=1S/C17H24N2/c1-5-16(12(2)3)18-11-14-10-13(4)19-17-9-7-6-8-15(14)17/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyFTIKXMNBKGQYQV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.07
Rot. Bonds5

About 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine

2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine (PubChem CID 78942769) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
PubChem CID78942769
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
SMILESCCC(NCc1cc(C)nc2ccccc12)C(C)C
InChIInChI=1S/C17H24N2/c1-5-16(12(2)3)18-11-14-10-13(4)19-17-9-7-6-8-15(14)17/h6-10,12,16,18H,5,11H2,1-4H3
InChIKeyFTIKXMNBKGQYQV-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

3-methyl-2-[(2-methylquinolin-4-yl)methylamino]butanoic acid
CID 79235216
5-methyl-N-[(2-methylquinolin-4-yl)methyl]hexan-2-amine
CID 78942763
3-[(2-methylquinolin-4-yl)methylamino]butan-1-ol
CID 78998387
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
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
1-(furan-2-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943029
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151
4-(2-bromobutyl)-2-methylquinoline
CID 63203840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine (CID 78942769) is 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine is CCC(NCc1cc(C)nc2ccccc12)C(C)C.
What is the InChIKey of 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine?
The InChIKey is FTIKXMNBKGQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-5-16(12(2)3)18-11-14-10-13(4)19-17-9-7-6-8-15(14)17/h6-10,12,16,18H,5,11H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine?
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-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 2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 78942769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).