2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile

C16H19N3O — CID 103045530

IUPAC2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
SMILESCNC(C)(C#N)CCCOc1cccc2ncccc12
InChIInChI=1S/C16H19N3O/c1-16(12-17,18-2)9-5-11-20-15-8-3-7-14-13(15)6-4-10-19-14/h3-4,6-8,10,18H,5,9,11H2,1-2H3
InChIKeyCOWWNFUUFAKSRU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile

2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile (PubChem CID 103045530) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
PubChem CID103045530
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
SMILESCNC(C)(C#N)CCCOc1cccc2ncccc12
InChIInChI=1S/C16H19N3O/c1-16(12-17,18-2)9-5-11-20-15-8-3-7-14-13(15)6-4-10-19-14/h3-4,6-8,10,18H,5,9,11H2,1-2H3
InChIKeyCOWWNFUUFAKSRU-UHFFFAOYSA-N
XLogP2.90
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,3-dimethylbutoxy)quinoline
CID 59667943
2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
CID 106810724
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
2-amino-4-quinolin-5-yloxybutanenitrile
CID 103045532
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
2-amino-2-methyl-4-quinolin-5-yloxypentanenitrile
CID 103045526
4-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)butanenitrile
CID 81269482
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
CID 103045838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile (CID 103045530) is 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile is CNC(C)(C#N)CCCOc1cccc2ncccc12.
What is the InChIKey of 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile?
The InChIKey is COWWNFUUFAKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(12-17,18-2)9-5-11-20-15-8-3-7-14-13(15)6-4-10-19-14/h3-4,6-8,10,18H,5,9,11H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile?
2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile has a molecular weight of 269.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile is sourced from PubChem (CID 103045530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).