4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

C14H24N2O — CID 61431982

IUPAC4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C14H24N2O/c1-11-5-6-12(9-15)14(8-11)16(2)10-13-4-3-7-17-13/h11-14H,3-8,10H2,1-2H3
InChIKeyMPHLKURJYLPUEX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile

4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 61431982) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID61431982
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C14H24N2O/c1-11-5-6-12(9-15)14(8-11)16(2)10-13-4-3-7-17-13/h11-14H,3-8,10H2,1-2H3
InChIKeyMPHLKURJYLPUEX-UHFFFAOYSA-N
XLogP2.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile (CID 61431982) is 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is CC1CCC(C#N)C(N(C)CC2CCCO2)C1.
What is the InChIKey of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is MPHLKURJYLPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-5-6-12(9-15)14(8-11)16(2)10-13-4-3-7-17-13/h11-14H,3-8,10H2,1-2H3.
What are the key properties of 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile?
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 61431982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).