2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide

C11H21N3O2 — CID 62782843

IUPAC2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C11H21N3O2/c1-14(7-10(13)15)11(16)6-8-2-4-9(12)5-3-8/h8-9H,2-7,12H2,1H3,(H2,13,15)
InChIKeyIPKFSPWKFASUJO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.16
Rot. Bonds4

About 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide

2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide (PubChem CID 62782843) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
PubChem CID62782843
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
SMILESCN(CC(N)=O)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C11H21N3O2/c1-14(7-10(13)15)11(16)6-8-2-4-9(12)5-3-8/h8-9H,2-7,12H2,1H3,(H2,13,15)
InChIKeyIPKFSPWKFASUJO-UHFFFAOYSA-N
XLogP-0.16
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide (CID 62782843) is 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide is CN(CC(N)=O)C(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide?
The InChIKey is IPKFSPWKFASUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14(7-10(13)15)11(16)6-8-2-4-9(12)5-3-8/h8-9H,2-7,12H2,1H3,(H2,13,15).
What are the key properties of 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide?
2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide is sourced from PubChem (CID 62782843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).