3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline

C16H25N — CID 102341869

IUPAC3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCCc1c(C(C)C)nc2c(c1CC)CCCC2
InChIInChI=1S/C16H25N/c1-5-12-13(6-2)16(11(3)4)17-15-10-8-7-9-14(12)15/h11H,5-10H2,1-4H3
InChIKeyZACGDXCUUNDPJT-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.21
Rot. Bonds3

About 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline

3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 102341869) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID102341869
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCCc1c(C(C)C)nc2c(c1CC)CCCC2
InChIInChI=1S/C16H25N/c1-5-12-13(6-2)16(11(3)4)17-15-10-8-7-9-14(12)15/h11H,5-10H2,1-4H3
InChIKeyZACGDXCUUNDPJT-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
CID 129153906
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
CID 82450571
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450215
(5-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82450260
N-methyl-1-(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine
CID 83862303
N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
2-ethyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid
CID 82396272
N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451463
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 118338079
9-(bromomethyl)-7-ethyl-1,2,3,4-tetrahydroacridine
CID 82450473

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 102341869) is 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline is CCc1c(C(C)C)nc2c(c1CC)CCCC2.
What is the InChIKey of 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is ZACGDXCUUNDPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-12-13(6-2)16(11(3)4)17-15-10-8-7-9-14(12)15/h11H,5-10H2,1-4H3.
What are the key properties of 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline?
3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 231.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 102341869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).