2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile

C14H26N2O — CID 114197268

IUPAC2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile
SMILESCCNC(C#N)CCOCC1CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-3-16-14(10-15)7-8-17-11-13-6-4-5-12(2)9-13/h12-14,16H,3-9,11H2,1-2H3
InChIKeyWWURRJOPOFTAKL-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds7

About 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile

2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile (PubChem CID 114197268) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile
PubChem CID114197268
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile
SMILESCCNC(C#N)CCOCC1CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-3-16-14(10-15)7-8-17-11-13-6-4-5-12(2)9-13/h12-14,16H,3-9,11H2,1-2H3
InChIKeyWWURRJOPOFTAKL-UHFFFAOYSA-N
XLogP2.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile (CID 114197268) is 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile is CCNC(C#N)CCOCC1CCCC(C)C1.
What is the InChIKey of 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile?
The InChIKey is WWURRJOPOFTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-16-14(10-15)7-8-17-11-13-6-4-5-12(2)9-13/h12-14,16H,3-9,11H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile?
2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[(3-methylcyclohexyl)methoxy]butanenitrile is sourced from PubChem (CID 114197268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).