1-methyl-3-pentyl-3,4-dihydro-2H-quinoline

C15H23N — CID 176730393

IUPAC1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
SMILESCCCCCC1Cc2ccccc2N(C)C1
InChIInChI=1S/C15H23N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(2)12-13/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3
InChIKeyWHSLTDPVAFVTKM-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.88
Rot. Bonds4

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

1-methyl-3-pentyl-3,4-dihydro-2H-quinoline (PubChem CID 176730393) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
PubChem CID176730393
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
SMILESCCCCCC1Cc2ccccc2N(C)C1
InChIInChI=1S/C15H23N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(2)12-13/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3
InChIKeyWHSLTDPVAFVTKM-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)propan-1-ol
CID 3590448
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 124890461
3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
CID 160890314
ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 142002286
3-butyl-5-methyl-2-pentyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 139228555
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095506
2-cyclopropyl-1-hexyl-2,3-dihydroindole
CID 11096828
28-methyl-28-azatricyclo[18.9.0.022,27]nonacosa-22,24,26-triene
CID 166968501

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline (CID 176730393) is 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline is CCCCCC1Cc2ccccc2N(C)C1.
What is the InChIKey of 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline?
The InChIKey is WHSLTDPVAFVTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-8-13-11-14-9-6-7-10-15(14)16(2)12-13/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline?
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline has a molecular weight of 217.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 176730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).