(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline

C15H23N — CID 15606170

IUPAC(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline
SMILESCCCCC[C@H]1CCc2ccccc2N1C
InChIInChI=1S/C15H23N/c1-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)2/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyKSQZVAWGIAAZHJ-AWEZNQCLSA-N
MW217.36 g/mol
LogP4.02
Rot. Bonds4

About (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline

(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline (PubChem CID 15606170) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline
PubChem CID15606170
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline
SMILESCCCCC[C@H]1CCc2ccccc2N1C
InChIInChI=1S/C15H23N/c1-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)2/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyKSQZVAWGIAAZHJ-AWEZNQCLSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Imipramine
CID 3696
Mianserin
CID 4184
Bamipine
CID 72075
Dimetacrine
CID 94280
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-Ethyl-N-benzylaniline
CID 7098
Depramine
CID 67534
Acridan
CID 7106
N,N-diethyl-m-toluidine
CID 66679
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
N,N,2-Trimethylaniline
CID 11869
1,2,3,4-Tetrahydroquinoline
CID 69460

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline (CID 15606170) is (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline is CCCCC[C@H]1CCc2ccccc2N1C.
What is the InChIKey of (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline?
The InChIKey is KSQZVAWGIAAZHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-9-14-12-11-13-8-6-7-10-15(13)16(14)2/h6-8,10,14H,3-5,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline?
(2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline has a molecular weight of 217.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-pentyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 15606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).