(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline

C15H23N — CID 99963884

IUPAC(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
SMILESCC(C)c1cccc2c1NC(C)(C)C[C@@H]2C
InChIInChI=1S/C15H23N/c1-10(2)12-7-6-8-13-11(3)9-15(4,5)16-14(12)13/h6-8,10-11,16H,9H2,1-5H3/t11-/m0/s1
InChIKeyBQQNDMBMWBJZKU-NSHDSACASA-N
MW217.36 g/mol
LogP4.51
Rot. Bonds1

About (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline

(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline (PubChem CID 99963884) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
PubChem CID99963884
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
SMILESCC(C)c1cccc2c1NC(C)(C)C[C@@H]2C
InChIInChI=1S/C15H23N/c1-10(2)12-7-6-8-13-11(3)9-15(4,5)16-14(12)13/h6-8,10-11,16H,9H2,1-5H3/t11-/m0/s1
InChIKeyBQQNDMBMWBJZKU-NSHDSACASA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline?
The IUPAC name of (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline (CID 99963884) is (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline?
The canonical SMILES for (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline is CC(C)c1cccc2c1NC(C)(C)C[C@@H]2C.
What is the InChIKey of (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline?
The InChIKey is BQQNDMBMWBJZKU-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)12-7-6-8-13-11(3)9-15(4,5)16-14(12)13/h6-8,10-11,16H,9H2,1-5H3/t11-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline?
(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline has a molecular weight of 217.36 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 99963884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).