N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide

C13H26N2O2 — CID 43254220

IUPACN-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
SMILESCC1CCCCC1OCC(=O)N(C)CCCN
InChIInChI=1S/C13H26N2O2/c1-11-6-3-4-7-12(11)17-10-13(16)15(2)9-5-8-14/h11-12H,3-10,14H2,1-2H3
InChIKeyWNZPFLGDIMPASG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide

N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide (PubChem CID 43254220) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
PubChem CID43254220
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide
SMILESCC1CCCCC1OCC(=O)N(C)CCCN
InChIInChI=1S/C13H26N2O2/c1-11-6-3-4-7-12(11)17-10-13(16)15(2)9-5-8-14/h11-12H,3-10,14H2,1-2H3
InChIKeyWNZPFLGDIMPASG-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide (CID 43254220) is N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide is CC1CCCCC1OCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide?
The InChIKey is WNZPFLGDIMPASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-6-3-4-7-12(11)17-10-13(16)15(2)9-5-8-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide?
N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-2-(2-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 43254220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).