2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile

C14H26N2O — CID 55000052

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)N(CCOC)C1CCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-4-12(2)16(9-10-17-3)14-8-6-5-7-13(14)11-15/h12-14H,4-10H2,1-3H3
InChIKeyJMRORVVLUURGSN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds6

About 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile

2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 55000052) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
PubChem CID55000052
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)N(CCOC)C1CCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-4-12(2)16(9-10-17-3)14-8-6-5-7-13(14)11-15/h12-14H,4-10H2,1-3H3
InChIKeyJMRORVVLUURGSN-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile (CID 55000052) is 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile is CCC(C)N(CCOC)C1CCCCC1C#N.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is JMRORVVLUURGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-12(2)16(9-10-17-3)14-8-6-5-7-13(14)11-15/h12-14H,4-10H2,1-3H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile?
2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 55000052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).