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

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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).