[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate

C12H22N2O3 — CID 23200994

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCN(C)C(=O)COC(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H22N2O3/c1-14(2)11(15)8-17-12(16)10-5-3-9(7-13)4-6-10/h9-10H,3-8,13H2,1-2H3
InChIKeySVAPPQSMEWHNMO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.38
Rot. Bonds4

About [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate

[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 23200994) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID23200994
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCN(C)C(=O)COC(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H22N2O3/c1-14(2)11(15)8-17-12(16)10-5-3-9(7-13)4-6-10/h9-10H,3-8,13H2,1-2H3
InChIKeySVAPPQSMEWHNMO-UHFFFAOYSA-N
XLogP0.38
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate (CID 23200994) is [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate is CN(C)C(=O)COC(=O)C1CCC(CN)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is SVAPPQSMEWHNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(2)11(15)8-17-12(16)10-5-3-9(7-13)4-6-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 23200994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).