2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide

C16H31N3O2 — CID 104677833

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)12-18(3)14(20)11-16(13-17)9-7-6-8-10-16/h4-13,17H2,1-3H3
InChIKeyROFLLEVFQKVFKZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 104677833) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID104677833
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCN(CC)C(=O)CN(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)12-18(3)14(20)11-16(13-17)9-7-6-8-10-16/h4-13,17H2,1-3H3
InChIKeyROFLLEVFQKVFKZ-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide (CID 104677833) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide is CCN(CC)C(=O)CN(C)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is ROFLLEVFQKVFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-19(5-2)15(21)12-18(3)14(20)11-16(13-17)9-7-6-8-10-16/h4-13,17H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 297.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 104677833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).