5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol

C14H22N2O — CID 107316747

IUPAC5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
SMILESOCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c17-11-3-1-2-9-15-13-8-4-6-12-7-5-10-16-14(12)13/h5,7,10,13,15,17H,1-4,6,8-9,11H2
InChIKeyNWTPCLSBHILJIL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.21
Rot. Bonds6

About 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol

5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol (PubChem CID 107316747) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
PubChem CID107316747
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
SMILESOCCCCCNC1CCCc2cccnc21
InChIInChI=1S/C14H22N2O/c17-11-3-1-2-9-15-13-8-4-6-12-7-5-10-16-14(12)13/h5,7,10,13,15,17H,1-4,6,8-9,11H2
InChIKeyNWTPCLSBHILJIL-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentyl N-tert-butylcarbamate
CID 91500558
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
5-pyridin-2-yl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
CID 154305094
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
[1-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]cyclopropyl]methanol
CID 113313175

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol?
The IUPAC name of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol (CID 107316747) is 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol?
The canonical SMILES for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol is OCCCCCNC1CCCc2cccnc21.
What is the InChIKey of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol?
The InChIKey is NWTPCLSBHILJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-11-3-1-2-9-15-13-8-4-6-12-7-5-10-16-14(12)13/h5,7,10,13,15,17H,1-4,6,8-9,11H2.
What are the key properties of 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol?
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol is sourced from PubChem (CID 107316747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).