2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine

C16H26N2 — CID 103462222

IUPAC2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCc1cccc2c1CCCN2
InChIInChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-13-7-5-9-15-14(13)8-6-10-18-15/h5,7,9,17-18H,4,6,8,10-12H2,1-3H3
InChIKeyUWKBQEABTDZRKG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds5

About 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine

2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine (PubChem CID 103462222) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
PubChem CID103462222
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
SMILESCCC(C)(C)CNCc1cccc2c1CCCN2
InChIInChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-13-7-5-9-15-14(13)8-6-10-18-15/h5,7,9,17-18H,4,6,8,10-12H2,1-3H3
InChIKeyUWKBQEABTDZRKG-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
CID 80649623
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
CID 105493478
N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
CID 167959230
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
CID 84673552
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
CID 103460819
N-tert-butyl-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773710
5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114593803
1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine (CID 103462222) is 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine is CCC(C)(C)CNCc1cccc2c1CCCN2.
What is the InChIKey of 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine?
The InChIKey is UWKBQEABTDZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(2,3)12-17-11-13-7-5-9-15-14(13)8-6-10-18-15/h5,7,9,17-18H,4,6,8,10-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine?
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 103462222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).