1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile

C14H25N3O — CID 117039603

IUPAC1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C14H25N3O/c1-16-14(11-15)7-3-12(4-8-14)17(2)13-5-9-18-10-6-13/h12-13,16H,3-10H2,1-2H3
InChIKeyLSJLEIDHSHRRBZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds3

About 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile

1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 117039603) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
PubChem CID117039603
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C14H25N3O/c1-16-14(11-15)7-3-12(4-8-14)17(2)13-5-9-18-10-6-13/h12-13,16H,3-10H2,1-2H3
InChIKeyLSJLEIDHSHRRBZ-UHFFFAOYSA-N
XLogP1.52
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile (CID 117039603) is 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile is CNC1(C#N)CCC(N(C)C2CCOCC2)CC1.
What is the InChIKey of 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is LSJLEIDHSHRRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-14(11-15)7-3-12(4-8-14)17(2)13-5-9-18-10-6-13/h12-13,16H,3-10H2,1-2H3.
What are the key properties of 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile?
1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 251.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).