2,2-dimethyl-3,4-dihydro-1H-quinoline

C11H15N — CID 13495806

IUPAC2,2-dimethyl-3,4-dihydro-1H-quinoline
SMILESCC1(C)CCc2ccccc2N1
InChIInChI=1S/C11H15N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyYJVRDLFDNAGZBT-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.82
Rot. Bonds

About 2,2-dimethyl-3,4-dihydro-1H-quinoline

2,2-dimethyl-3,4-dihydro-1H-quinoline (PubChem CID 13495806) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydro-1H-quinoline
PubChem CID13495806
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,2-dimethyl-3,4-dihydro-1H-quinoline
SMILESCC1(C)CCc2ccccc2N1
InChIInChI=1S/C11H15N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6,12H,7-8H2,1-2H3
InChIKeyYJVRDLFDNAGZBT-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2-dimethyl-3,4-dihydro-1H-quinoline (CID 13495806) is 2,2-dimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2-dimethyl-3,4-dihydro-1H-quinoline is CC1(C)CCc2ccccc2N1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is YJVRDLFDNAGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydro-1H-quinoline?
2,2-dimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 161.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 13495806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).