2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide

C12H24N2O2 — CID 65051149

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
SMILESCCCNC(=O)COC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-8-14-11(15)9-16-12(10-13)6-4-3-5-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyUDJDDWBDEHZMQR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide

2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide (PubChem CID 65051149) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
PubChem CID65051149
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
SMILESCCCNC(=O)COC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-2-8-14-11(15)9-16-12(10-13)6-4-3-5-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyUDJDDWBDEHZMQR-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052464
2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
CID 65051099
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
CID 65051854
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-propoxyacetamide
CID 107941625
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide (CID 65051149) is 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide is CCCNC(=O)COC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide?
The InChIKey is UDJDDWBDEHZMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-8-14-11(15)9-16-12(10-13)6-4-3-5-7-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide?
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide is sourced from PubChem (CID 65051149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).