4-methyl-1-(methylamino)cyclohexane-1-carbonitrile

C9H16N2 — CID 2507736

IUPAC4-methyl-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(C)CC1
InChIInChI=1S/C9H16N2/c1-8-3-5-9(7-10,11-2)6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyXBYWYHKMZWCSGF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds1

About 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile

4-methyl-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 2507736) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID2507736
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(C)CC1
InChIInChI=1S/C9H16N2/c1-8-3-5-9(7-10,11-2)6-4-8/h8,11H,3-6H2,1-2H3
InChIKeyXBYWYHKMZWCSGF-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile (CID 2507736) is 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is XBYWYHKMZWCSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-3-5-9(7-10,11-2)6-4-8/h8,11H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile?
4-methyl-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 2507736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).