N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide

C12H21N3O — CID 60516717

IUPACN-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
SMILESCCN(C)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H21N3O/c1-3-15(2)9-11(16)14-12(10-13)7-5-4-6-8-12/h3-9H2,1-2H3,(H,14,16)
InChIKeyYADZWTXAAXLPDH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide

N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide (PubChem CID 60516717) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
PubChem CID60516717
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
SMILESCCN(C)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H21N3O/c1-3-15(2)9-11(16)14-12(10-13)7-5-4-6-8-12/h3-9H2,1-2H3,(H,14,16)
InChIKeyYADZWTXAAXLPDH-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
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N-(1-cyanocyclooctyl)hexanamide
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2-bromo-N-(1-cyanocycloheptyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide (CID 60516717) is N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide is CCN(C)CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide?
The InChIKey is YADZWTXAAXLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15(2)9-11(16)14-12(10-13)7-5-4-6-8-12/h3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide?
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide is sourced from PubChem (CID 60516717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).