2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine

C15H20N2 — CID 113231254

IUPAC2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCc1cnc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-4-15(2,3)17-11-12-9-13-7-5-6-8-14(13)16-10-12/h5-10,17H,4,11H2,1-3H3
InChIKeyCTRHIWNHOCDQBP-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.51
Rot. Bonds4

About 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine

2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine (PubChem CID 113231254) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
PubChem CID113231254
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
SMILESCCC(C)(C)NCc1cnc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-4-15(2,3)17-11-12-9-13-7-5-6-8-14(13)16-10-12/h5-10,17H,4,11H2,1-3H3
InChIKeyCTRHIWNHOCDQBP-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
N-(quinolin-3-ylmethyl)aniline
CID 12573835
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
3-(3,3-dimethylbutyl)quinoline
CID 58808300
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
CID 142196706
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
3-ethylquinoline;quinoline
CID 174966721
3-[(sulfinatoamino)methyl]quinoline
CID 67383747
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine (CID 113231254) is 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine is CCC(C)(C)NCc1cnc2ccccc2c1.
What is the InChIKey of 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine?
The InChIKey is CTRHIWNHOCDQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-15(2,3)17-11-12-9-13-7-5-6-8-14(13)16-10-12/h5-10,17H,4,11H2,1-3H3.
What are the key properties of 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine?
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 113231254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).