2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide

C13H24N2O2 — CID 65050836

IUPAC2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
SMILESCC1CCC(CN)(OCC(=O)NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10-4-6-13(9-14,7-5-10)17-8-12(16)15-11-2-3-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyHCZRVPPCLBKWGG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.19
Rot. Bonds5

About 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide

2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide (PubChem CID 65050836) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
PubChem CID65050836
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
SMILESCC1CCC(CN)(OCC(=O)NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10-4-6-13(9-14,7-5-10)17-8-12(16)15-11-2-3-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyHCZRVPPCLBKWGG-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-methylacetamide
CID 65051418
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706
N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
CID 115442068
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568
2-(4-tert-butyloxan-4-yl)oxy-N-cyclopropylacetamide
CID 140911414
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
2-aminooxy-N-cyclopropylacetamide;hydrochloride
CID 132888042
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052464
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide (CID 65050836) is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide is CC1CCC(CN)(OCC(=O)NC2CC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide?
The InChIKey is HCZRVPPCLBKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-4-6-13(9-14,7-5-10)17-8-12(16)15-11-2-3-11/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide?
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide is sourced from PubChem (CID 65050836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).