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

C14H26N2O — CID 106709912

IUPAC6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
SMILESCOCCN(CCCCC(C)(C)C#N)C1CC1
InChIInChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(10-11-17-3)13-6-7-13/h13H,4-11H2,1-3H3
InChIKeyPQLLVYIAKULAON-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds9

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

6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106709912) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
PubChem CID106709912
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
SMILESCOCCN(CCCCC(C)(C)C#N)C1CC1
InChIInChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(10-11-17-3)13-6-7-13/h13H,4-11H2,1-3H3
InChIKeyPQLLVYIAKULAON-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.82
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

6-[ethyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile
CID 106709904
6-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylhexanenitrile
CID 106713476
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
2-amino-4-[cyclopropyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692499
4-[cyclobutyl(3-hydroxypropyl)amino]-2,2-dimethylbutanenitrile
CID 102848297
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
N,N'-dicyclopropyl-N'-(2-methoxyethyl)butane-1,4-diamine
CID 62434695
5-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064112
2-amino-2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]propanenitrile
CID 63912909
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile (CID 106709912) is 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile is COCCN(CCCCC(C)(C)C#N)C1CC1.
What is the InChIKey of 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is PQLLVYIAKULAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,12-15)8-4-5-9-16(10-11-17-3)13-6-7-13/h13H,4-11H2,1-3H3.
What are the key properties of 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile?
6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2-methoxyethyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).