N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide

C12H19N3O — CID 10198366

IUPACN-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
SMILESN#CN1CC(CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
InChIKeyQFRLOVNUDLMMCT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.10
Rot. Bonds3

About N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide

N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 10198366) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
PubChem CID10198366
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
SMILESN#CN1CC(CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16)
InChIKeyQFRLOVNUDLMMCT-UHFFFAOYSA-N
XLogP1.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide (CID 10198366) is N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide is N#CN1CC(CNC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is QFRLOVNUDLMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-9-15-7-10(8-15)6-14-12(16)11-4-2-1-3-5-11/h10-11H,1-8H2,(H,14,16).
What are the key properties of N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide?
N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 10198366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).