N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide

C12H21N3O — CID 43199293

IUPACN-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)NCC#N)C1C
InChIInChI=1S/C12H21N3O/c1-9-4-3-5-11(10(9)2)15-8-12(16)14-7-6-13/h9-11,15H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyFSEAOGZZJSNRAM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.04
Rot. Bonds4

About N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide

N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide (PubChem CID 43199293) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
PubChem CID43199293
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
SMILESCC1CCCC(NCC(=O)NCC#N)C1C
InChIInChI=1S/C12H21N3O/c1-9-4-3-5-11(10(9)2)15-8-12(16)14-7-6-13/h9-11,15H,3-5,7-8H2,1-2H3,(H,14,16)
InChIKeyFSEAOGZZJSNRAM-UHFFFAOYSA-N
XLogP1.04
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)amino]acetamide
CID 63277675
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
CID 11939615

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide (CID 43199293) is N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide is CC1CCCC(NCC(=O)NCC#N)C1C.
What is the InChIKey of N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
The InChIKey is FSEAOGZZJSNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-4-3-5-11(10(9)2)15-8-12(16)14-7-6-13/h9-11,15H,3-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide?
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide is sourced from PubChem (CID 43199293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).