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

C16H26N2 — CID 106902230

IUPAC2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCC1CNc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-12(2)13(3)9-17-10-14-8-15-6-4-5-7-16(15)18-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyLSLSOQNTOBHUOW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.15
Rot. Bonds5

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

2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (PubChem CID 106902230) 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-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
PubChem CID106902230
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCC1CNc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-12(2)13(3)9-17-10-14-8-15-6-4-5-7-16(15)18-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyLSLSOQNTOBHUOW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
CID 106902332
1-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106902071
N-[(4-bromothiophen-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902222
2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106052435
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (CID 106902230) is 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine is CC(C)C(C)CNCC1CNc2ccccc2C1.
What is the InChIKey of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The InChIKey is LSLSOQNTOBHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)13(3)9-17-10-14-8-15-6-4-5-7-16(15)18-11-14/h4-7,12-14,17-18H,8-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.15, 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-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106902230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).