N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide

C13H22N2O — CID 119035277

IUPACN-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)NC1CCCCC1C
InChIInChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16)
InChIKeyXRDKHCJIOMNLFH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide

N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide (PubChem CID 119035277) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide
PubChem CID119035277
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)NC1CCCCC1C
InChIInChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16)
InChIKeyXRDKHCJIOMNLFH-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide (CID 119035277) is N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide is C#CCN(C)CC(=O)NC1CCCCC1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The InChIKey is XRDKHCJIOMNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-15(3)10-13(16)14-12-8-6-5-7-11(12)2/h1,11-12H,5-10H2,2-3H3,(H,14,16).
What are the key properties of N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[methyl(prop-2-ynyl)amino]acetamide is sourced from PubChem (CID 119035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).