2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline

C16H25N — CID 22949086

IUPAC2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline
SMILESCc1c(C)c(C)c2c(c1C)CC(C)C(C)(C)N2
InChIInChI=1S/C16H25N/c1-9-8-14-12(4)10(2)11(3)13(5)15(14)17-16(9,6)7/h9,17H,8H2,1-7H3
InChIKeyLEKFGCQUIMRDQN-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.30
Rot. Bonds

About 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline

2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline (PubChem CID 22949086) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline
PubChem CID22949086
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline
SMILESCc1c(C)c(C)c2c(c1C)CC(C)C(C)(C)N2
InChIInChI=1S/C16H25N/c1-9-8-14-12(4)10(2)11(3)13(5)15(14)17-16(9,6)7/h9,17H,8H2,1-7H3
InChIKeyLEKFGCQUIMRDQN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline (CID 22949086) is 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline is Cc1c(C)c(C)c2c(c1C)CC(C)C(C)(C)N2.
What is the InChIKey of 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline?
The InChIKey is LEKFGCQUIMRDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-9-8-14-12(4)10(2)11(3)13(5)15(14)17-16(9,6)7/h9,17H,8H2,1-7H3.
What are the key properties of 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline?
2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline has a molecular weight of 231.38 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,6,7,8-heptamethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 22949086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).