5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol

C16H23N3O — CID 107316843

IUPAC5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cccc2cccnc12
InChIInChI=1S/C16H23N3O/c17-12-15(18-9-2-1-3-11-20)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10,15,18,20H,1-3,9,11-12,17H2
InChIKeyHNNOAOXGQNUPRP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds8

About 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol

5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol (PubChem CID 107316843) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
PubChem CID107316843
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cccc2cccnc12
InChIInChI=1S/C16H23N3O/c17-12-15(18-9-2-1-3-11-20)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10,15,18,20H,1-3,9,11-12,17H2
InChIKeyHNNOAOXGQNUPRP-UHFFFAOYSA-N
XLogP1.99
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916
N-(2-chlorophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65378756
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
CID 107316874
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol?
The IUPAC name of 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol (CID 107316843) is 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol is NCC(NCCCCCO)c1cccc2cccnc12.
What is the InChIKey of 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol?
The InChIKey is HNNOAOXGQNUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-12-15(18-9-2-1-3-11-20)14-8-4-6-13-7-5-10-19-16(13)14/h4-8,10,15,18,20H,1-3,9,11-12,17H2.
What are the key properties of 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol?
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol is sourced from PubChem (CID 107316843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).