2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine

C16H22N2 — CID 113234424

IUPAC2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2/c1-4-9-16(2,3)18-12-13-7-8-15-14(11-13)6-5-10-17-15/h5-8,10-11,18H,4,9,12H2,1-3H3
InChIKeyVTMOXUCIVOEEJC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.90
Rot. Bonds5

About 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine

2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine (PubChem CID 113234424) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
PubChem CID113234424
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2/c1-4-9-16(2,3)18-12-13-7-8-15-14(11-13)6-5-10-17-15/h5-8,10-11,18H,4,9,12H2,1-3H3
InChIKeyVTMOXUCIVOEEJC-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
2-(hydroxymethyl)-2-(quinolin-6-ylmethylamino)propane-1,3-diol
CID 107850850
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
(3S)-3,5-dimethyl-N-(quinolin-6-ylmethyl)hex-1-yn-3-amine
CID 45104223
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
(2S)-2-cyclobutyl-N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 45104224
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine?
The IUPAC name of 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine (CID 113234424) is 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine.
What is the SMILES notation for 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine?
The canonical SMILES for 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine is CCCC(C)(C)NCc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine?
The InChIKey is VTMOXUCIVOEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-9-16(2,3)18-12-13-7-8-15-14(11-13)6-5-10-17-15/h5-8,10-11,18H,4,9,12H2,1-3H3.
What are the key properties of 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine?
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine is sourced from PubChem (CID 113234424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).