6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline

C15H23N — CID 106778864

IUPAC6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23N/c1-15(2,3)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyADJDFRZSUSPBOO-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.02
Rot. Bonds2

About 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline

6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106778864) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106778864
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)CCc1ccc2c(c1)CCCN2
InChIInChI=1S/C15H23N/c1-15(2,3)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11,16H,4-5,8-10H2,1-3H3
InChIKeyADJDFRZSUSPBOO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline (CID 106778864) is 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)CCc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ADJDFRZSUSPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11,16H,4-5,8-10H2,1-3H3.
What are the key properties of 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline?
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106778864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).