N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen

C11H22N2O — CID 156726408

IUPACN-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
SMILESCN1CC(NC(=O)C2CCCCC2)C1.[H][H]
InChIInChI=1S/C11H20N2O.H2/c1-13-7-10(8-13)12-11(14)9-5-3-2-4-6-9;/h9-10H,2-8H2,1H3,(H,12,14);1H
InChIKeyZDVWAHUBINAHBC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds2

About N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen

N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen (PubChem CID 156726408) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
PubChem CID156726408
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
SMILESCN1CC(NC(=O)C2CCCCC2)C1.[H][H]
InChIInChI=1S/C11H20N2O.H2/c1-13-7-10(8-13)12-11(14)9-5-3-2-4-6-9;/h9-10H,2-8H2,1H3,(H,12,14);1H
InChIKeyZDVWAHUBINAHBC-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 153353379
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
(3R,4R)-4-(cyclohexanecarbonylamino)-1-methylpyrrolidine-3-carboxamide
CID 110107540
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
4-hydroxy-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150764

Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The IUPAC name of N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen (CID 156726408) is N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The canonical SMILES for N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen is CN1CC(NC(=O)C2CCCCC2)C1.[H][H].
What is the InChIKey of N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
The InChIKey is ZDVWAHUBINAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.H2/c1-13-7-10(8-13)12-11(14)9-5-3-2-4-6-9;/h9-10H,2-8H2,1H3,(H,12,14);1H.
What are the key properties of N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen?
N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen has a molecular weight of 198.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen is sourced from PubChem (CID 156726408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).