N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine

C17H25N3 — CID 62184502

IUPACN-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
SMILESCCC(C)CN(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C17H25N3/c1-5-13(2)11-20(4)12-15-10-14-8-6-7-9-16(14)19-17(15)18-3/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyHPUWBJHLMJGWSA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.75
Rot. Bonds6

About N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine

N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine (PubChem CID 62184502) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
PubChem CID62184502
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine
SMILESCCC(C)CN(C)Cc1cc2ccccc2nc1NC
InChIInChI=1S/C17H25N3/c1-5-13(2)11-20(4)12-15-10-14-8-6-7-9-16(14)19-17(15)18-3/h6-10,13H,5,11-12H2,1-4H3,(H,18,19)
InChIKeyHPUWBJHLMJGWSA-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine?
The IUPAC name of N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine (CID 62184502) is N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine.
What is the SMILES notation for N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine?
The canonical SMILES for N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine is CCC(C)CN(C)Cc1cc2ccccc2nc1NC.
What is the InChIKey of N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine?
The InChIKey is HPUWBJHLMJGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-13(2)11-20(4)12-15-10-14-8-6-7-9-16(14)19-17(15)18-3/h6-10,13H,5,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine?
N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[methyl(2-methylbutyl)amino]methyl]quinolin-2-amine is sourced from PubChem (CID 62184502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).