2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide

C15H30N2O3 — CID 104678420

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC1(CN)CCCCC1)OCC
InChIInChI=1S/C15H30N2O3/c1-3-19-14(20-4-2)11-17-13(18)10-15(12-16)8-6-5-7-9-15/h14H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyVWMOBEJLOBLZKG-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.80
Rot. Bonds9

About 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide (PubChem CID 104678420) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
PubChem CID104678420
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
SMILESCCOC(CNC(=O)CC1(CN)CCCCC1)OCC
InChIInChI=1S/C15H30N2O3/c1-3-19-14(20-4-2)11-17-13(18)10-15(12-16)8-6-5-7-9-15/h14H,3-12,16H2,1-2H3,(H,17,18)
InChIKeyVWMOBEJLOBLZKG-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide (CID 104678420) is 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide is CCOC(CNC(=O)CC1(CN)CCCCC1)OCC.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide?
The InChIKey is VWMOBEJLOBLZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-3-19-14(20-4-2)11-17-13(18)10-15(12-16)8-6-5-7-9-15/h14H,3-12,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide is sourced from PubChem (CID 104678420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).