7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline

C15H23N — CID 130242087

IUPAC7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)(CC)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H23N/c1-4-15(3,5-2)13-9-8-12-7-6-10-16-14(12)11-13/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyCPXCMKVKVQHZMU-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.12
Rot. Bonds3

About 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline

7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 130242087) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID130242087
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)(CC)c1ccc2c(c1)NCCC2
InChIInChI=1S/C15H23N/c1-4-15(3,5-2)13-9-8-12-7-6-10-16-14(12)11-13/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyCPXCMKVKVQHZMU-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-tert-butyl-2,3,4,5-tetrahydro-1H-1-benzazepine;ethane
CID 176701513
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432328
ethane;7-methyl-1,2,3,4-tetrahydroquinoline
CID 142224426
7-butan-2-yl-1,2,3,4-tetrahydroquinoline
CID 91483435
N-(2-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313939
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114943139
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
N-butan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
CID 79676970
N-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine
CID 116998112

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline (CID 130242087) is 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline is CCC(C)(CC)c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CPXCMKVKVQHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(3,5-2)13-9-8-12-7-6-10-16-14(12)11-13/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline?
7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130242087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).