2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine

C16H26N2 — CID 80649952

IUPAC2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1cccc2c1NCCC2
InChIInChI=1S/C16H26N2/c1-12(2)13(3)10-17-11-15-7-4-6-14-8-5-9-18-16(14)15/h4,6-7,12-13,17-18H,5,8-11H2,1-3H3
InChIKeyKZZVBGGFTWFDEI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.43
Rot. Bonds5

About 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine

2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine (PubChem CID 80649952) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
PubChem CID80649952
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1cccc2c1NCCC2
InChIInChI=1S/C16H26N2/c1-12(2)13(3)10-17-11-15-7-4-6-14-8-5-9-18-16(14)15/h4,6-7,12-13,17-18H,5,8-11H2,1-3H3
InChIKeyKZZVBGGFTWFDEI-UHFFFAOYSA-N
XLogP3.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 80649895
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
CID 80649623
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 64599539
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine (CID 80649952) is 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine is CC(C)C(C)CNCc1cccc2c1NCCC2.
What is the InChIKey of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine?
The InChIKey is KZZVBGGFTWFDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)13(3)10-17-11-15-7-4-6-14-8-5-9-18-16(14)15/h4,6-7,12-13,17-18H,5,8-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine?
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine is sourced from PubChem (CID 80649952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).