4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile

C12H21N3O — CID 114763454

IUPAC4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile
SMILESCNC1CCC(N2CCOC(C#N)C2)CC1
InChIInChI=1S/C12H21N3O/c1-14-10-2-4-11(5-3-10)15-6-7-16-12(8-13)9-15/h10-12,14H,2-7,9H2,1H3
InChIKeySYAZUHSWAVMZHK-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.74
Rot. Bonds2

About 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile

4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile (PubChem CID 114763454) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile
PubChem CID114763454
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile
SMILESCNC1CCC(N2CCOC(C#N)C2)CC1
InChIInChI=1S/C12H21N3O/c1-14-10-2-4-11(5-3-10)15-6-7-16-12(8-13)9-15/h10-12,14H,2-7,9H2,1H3
InChIKeySYAZUHSWAVMZHK-UHFFFAOYSA-N
XLogP0.74
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-4-Morpholinocyclohexanamine
CID 22562152
2-fluoro-4-morpholin-4-yl-N-propan-2-ylcyclohexan-1-amine
CID 178010536
N-ethyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine
CID 178011159
2-fluoro-N-methyl-4-morpholin-4-ylcyclohexan-1-amine
CID 178011658
N-(2-morpholin-4-ylpropyl)cyclohexanamine
CID 60752243
N-butyl-2-fluoro-4-morpholin-4-ylcyclohexan-1-amine
CID 178010997
6-Butylmorpholine-3-carbonitrile
CID 22498505
4-(2,6-Dimethylmorpholin-4-yl)cyclohexan-1-amine
CID 23111915
n-[3-(Morpholin-4-yl)propyl]cyclohexanamine
CID 28672835
N-methyl-4-morpholinocyclohexanamine
CID 57650676
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexan-1-amine
CID 57741198
4-morpholin-4-yl-N-propan-2-ylcyclohexan-1-amine
CID 59606934

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile (CID 114763454) is 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile is CNC1CCC(N2CCOC(C#N)C2)CC1.
What is the InChIKey of 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile?
The InChIKey is SYAZUHSWAVMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-10-2-4-11(5-3-10)15-6-7-16-12(8-13)9-15/h10-12,14H,2-7,9H2,1H3.
What are the key properties of 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile?
4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile is sourced from PubChem (CID 114763454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).