1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol

C16H25NO — CID 65041589

IUPAC1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
SMILESCCCCCCC(O)C1CCc2ccccc2N1
InChIInChI=1S/C16H25NO/c1-2-3-4-5-10-16(18)15-12-11-13-8-6-7-9-14(13)17-15/h6-9,15-18H,2-5,10-12H2,1H3
InChIKeyJKRAHJBAEHVLKL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.74
Rot. Bonds6

About 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol

1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol (PubChem CID 65041589) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
PubChem CID65041589
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
SMILESCCCCCCC(O)C1CCc2ccccc2N1
InChIInChI=1S/C16H25NO/c1-2-3-4-5-10-16(18)15-12-11-13-8-6-7-9-14(13)17-15/h6-9,15-18H,2-5,10-12H2,1H3
InChIKeyJKRAHJBAEHVLKL-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-ol
CID 65410598
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-ol
CID 115784012
2,2-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)propan-1-ol
CID 65041637
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)undecan-1-ol
CID 64986848
octan-2-yl 2,3-dihydro-1H-indole-2-carboxylate
CID 61301717
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
(4-fluoro-2-methylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041819
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
1-(4-bromocyclohex-3-en-1-yl)octan-1-ol
CID 70368815
(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 79970709

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol (CID 65041589) is 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol is CCCCCCC(O)C1CCc2ccccc2N1.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol?
The InChIKey is JKRAHJBAEHVLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-4-5-10-16(18)15-12-11-13-8-6-7-9-14(13)17-15/h6-9,15-18H,2-5,10-12H2,1H3.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol?
1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol is sourced from PubChem (CID 65041589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).