4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

C14H23N3O2 — CID 115151333

IUPAC4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCNC1(C#N)CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H23N3O2/c1-16-14(10-15)6-2-11(3-7-14)13(18)17-12-4-8-19-9-5-12/h11-12,16H,2-9H2,1H3,(H,17,18)
InChIKeyPQBNSODZFMJWEN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.95
Rot. Bonds3

About 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 115151333) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID115151333
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESCNC1(C#N)CCC(C(=O)NC2CCOCC2)CC1
InChIInChI=1S/C14H23N3O2/c1-16-14(10-15)6-2-11(3-7-14)13(18)17-12-4-8-19-9-5-12/h11-12,16H,2-9H2,1H3,(H,17,18)
InChIKeyPQBNSODZFMJWEN-UHFFFAOYSA-N
XLogP0.95
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 117039603
N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
N-(4,4-difluorocyclohexyl)oxolane-3-carboxamide
CID 121194076
4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
CID 74889891
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171992627
6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 43610281
4-(2-aminoethyl)-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 115151086
N-(oxolan-3-yl)cyclohexanecarboxamide
CID 110868779
2-cyano-N-(oxan-4-yl)acetamide
CID 43610224
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
3-(oxan-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235400
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 115151333) is 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is CNC1(C#N)CCC(C(=O)NC2CCOCC2)CC1.
What is the InChIKey of 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PQBNSODZFMJWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-14(10-15)6-2-11(3-7-14)13(18)17-12-4-8-19-9-5-12/h11-12,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(methylamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).