4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline

C18H31N — CID 139220214

IUPAC4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
SMILESCCCC1CC(C)(CC(C)(C)C)C2CC=CC=C2N1
InChIInChI=1S/C18H31N/c1-6-9-14-12-18(5,13-17(2,3)4)15-10-7-8-11-16(15)19-14/h7-8,11,14-15,19H,6,9-10,12-13H2,1-5H3
InChIKeyRZMVUNKWFUWBPU-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.05
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline

4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline (PubChem CID 139220214) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
PubChem CID139220214
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline
SMILESCCCC1CC(C)(CC(C)(C)C)C2CC=CC=C2N1
InChIInChI=1S/C18H31N/c1-6-9-14-12-18(5,13-17(2,3)4)15-10-7-8-11-16(15)19-14/h7-8,11,14-15,19H,6,9-10,12-13H2,1-5H3
InChIKeyRZMVUNKWFUWBPU-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline (CID 139220214) is 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline is CCCC1CC(C)(CC(C)(C)C)C2CC=CC=C2N1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
The InChIKey is RZMVUNKWFUWBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-9-14-12-18(5,13-17(2,3)4)15-10-7-8-11-16(15)19-14/h7-8,11,14-15,19H,6,9-10,12-13H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline?
4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline has a molecular weight of 261.45 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-4-methyl-2-propyl-2,3,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 139220214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).