4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile

C12H19N3O2 — CID 79674039

IUPAC4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCC(N)CC2)CCO1
InChIInChI=1S/C12H19N3O2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h9-11H,1-6,8,14H2
InChIKeyQOQMKDIJFQMNMI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.25
Rot. Bonds1

About 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile

4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile (PubChem CID 79674039) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
PubChem CID79674039
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C2CCC(N)CC2)CCO1
InChIInChI=1S/C12H19N3O2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h9-11H,1-6,8,14H2
InChIKeyQOQMKDIJFQMNMI-UHFFFAOYSA-N
XLogP0.25
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
4-(2-methylcyclopropanecarbonyl)morpholine-2-carbonitrile
CID 78945771
4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
CID 103761814
4-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79671135
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
1-(2-cyanomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 79675793
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
CID 79674055
4-[2-(thian-4-yl)acetyl]morpholine-2-carbonitrile
CID 80709671
4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
CID 79674503
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile (CID 79674039) is 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C2CCC(N)CC2)CCO1.
What is the InChIKey of 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile?
The InChIKey is QOQMKDIJFQMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-7-11-8-15(5-6-17-11)12(16)9-1-3-10(14)4-2-9/h9-11H,1-6,8,14H2.
What are the key properties of 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile?
4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile has a molecular weight of 237.30 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexanecarbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).