5-(quinolin-8-ylmethylamino)pentan-1-ol

C15H20N2O — CID 81427382

IUPAC5-(quinolin-8-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1cccc2cccnc12
InChIInChI=1S/C15H20N2O/c18-11-3-1-2-9-16-12-14-7-4-6-13-8-5-10-17-15(13)14/h4-8,10,16,18H,1-3,9,11-12H2
InChIKeyYXJTXGTVFCMLLB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds7

About 5-(quinolin-8-ylmethylamino)pentan-1-ol

5-(quinolin-8-ylmethylamino)pentan-1-ol (PubChem CID 81427382) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(quinolin-8-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(quinolin-8-ylmethylamino)pentan-1-ol
PubChem CID81427382
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(quinolin-8-ylmethylamino)pentan-1-ol
SMILESOCCCCCNCc1cccc2cccnc12
InChIInChI=1S/C15H20N2O/c18-11-3-1-2-9-16-12-14-7-4-6-13-8-5-10-17-15(13)14/h4-8,10,16,18H,1-3,9,11-12H2
InChIKeyYXJTXGTVFCMLLB-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
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

6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
3-methyl-4-(quinolin-8-ylmethylamino)butan-1-ol
CID 66089220
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-8-ylmethylamino)pentan-1-ol?
The IUPAC name of 5-(quinolin-8-ylmethylamino)pentan-1-ol (CID 81427382) is 5-(quinolin-8-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 5-(quinolin-8-ylmethylamino)pentan-1-ol?
The canonical SMILES for 5-(quinolin-8-ylmethylamino)pentan-1-ol is OCCCCCNCc1cccc2cccnc12.
What is the InChIKey of 5-(quinolin-8-ylmethylamino)pentan-1-ol?
The InChIKey is YXJTXGTVFCMLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-11-3-1-2-9-16-12-14-7-4-6-13-8-5-10-17-15(13)14/h4-8,10,16,18H,1-3,9,11-12H2.
What are the key properties of 5-(quinolin-8-ylmethylamino)pentan-1-ol?
5-(quinolin-8-ylmethylamino)pentan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-8-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 81427382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).