6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile

C13H26N2O — CID 106709904

IUPAC6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
SMILESCCN(CCCCC(C)(C)C#N)CCOC
InChIInChI=1S/C13H26N2O/c1-5-15(10-11-16-4)9-7-6-8-13(2,3)12-14/h5-11H2,1-4H3
InChIKeyWNCLRVSHVJMSAI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.67
Rot. Bonds9

About 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile

6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106709904) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
PubChem CID106709904
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
SMILESCCN(CCCCC(C)(C)C#N)CCOC
InChIInChI=1S/C13H26N2O/c1-5-15(10-11-16-4)9-7-6-8-13(2,3)12-14/h5-11H2,1-4H3
InChIKeyWNCLRVSHVJMSAI-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
5-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylpentanenitrile
CID 115672467
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709912
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
4-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylbutanenitrile
CID 102993281
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile (CID 106709904) is 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile is CCN(CCCCC(C)(C)C#N)CCOC.
What is the InChIKey of 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is WNCLRVSHVJMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(10-11-16-4)9-7-6-8-13(2,3)12-14/h5-11H2,1-4H3.
What are the key properties of 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 226.36 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).