2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol

C17H24N2O2 — CID 106810724

IUPAC2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
SMILESCCC(CO)(CCCOc1cccc2ncccc12)NC
InChIInChI=1S/C17H24N2O2/c1-3-17(13-20,18-2)10-6-12-21-16-9-4-8-15-14(16)7-5-11-19-15/h4-5,7-9,11,18,20H,3,6,10,12-13H2,1-2H3
InChIKeyKZBNXXZNGRQQDV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol

2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol (PubChem CID 106810724) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
PubChem CID106810724
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
SMILESCCC(CO)(CCCOc1cccc2ncccc12)NC
InChIInChI=1S/C17H24N2O2/c1-3-17(13-20,18-2)10-6-12-21-16-9-4-8-15-14(16)7-5-11-19-15/h4-5,7-9,11,18,20H,3,6,10,12-13H2,1-2H3
InChIKeyKZBNXXZNGRQQDV-UHFFFAOYSA-N
XLogP2.75
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
CID 103045530
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
2-(ethylamino)-2-methyl-3-quinolin-5-yloxypropan-1-ol
CID 103046028
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
CID 103044503
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
CID 106810196
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol (CID 106810724) is 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol is CCC(CO)(CCCOc1cccc2ncccc12)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol?
The InChIKey is KZBNXXZNGRQQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-17(13-20,18-2)10-6-12-21-16-9-4-8-15-14(16)7-5-11-19-15/h4-5,7-9,11,18,20H,3,6,10,12-13H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol?
2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol is sourced from PubChem (CID 106810724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).