(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline

C14H21N — CID 15606332

IUPAC(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCC[C@H]1CCc2ccccc2N1
InChIInChI=1S/C14H21N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9,13,15H,2-4,8,10-11H2,1H3/t13-/m0/s1
InChIKeyCOWWTNSCQZQEAB-ZDUSSCGKSA-N
MW203.33 g/mol
LogP3.99
Rot. Bonds4

About (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline

(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline (PubChem CID 15606332) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
PubChem CID15606332
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCC[C@H]1CCc2ccccc2N1
InChIInChI=1S/C14H21N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9,13,15H,2-4,8,10-11H2,1H3/t13-/m0/s1
InChIKeyCOWWTNSCQZQEAB-ZDUSSCGKSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-2,3-dihydro-1H-indole
CID 65041926
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
CID 43329134
2-undecyl-2,3-dihydro-1H-benzo[de]quinoline
CID 57090472
2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
CID 65041589
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline (CID 15606332) is (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline is CCCCC[C@H]1CCc2ccccc2N1.
What is the InChIKey of (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is COWWTNSCQZQEAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9,13,15H,2-4,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline?
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 15606332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).