2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide

C12H22N2O — CID 51072753

IUPAC2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-12(15)10-14(2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3,(H,13,15)
InChIKeyBZUPCDGBOQNQNO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide

2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide (PubChem CID 51072753) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
PubChem CID51072753
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-12(15)10-14(2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3,(H,13,15)
InChIKeyBZUPCDGBOQNQNO-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide (CID 51072753) is 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide?
The InChIKey is BZUPCDGBOQNQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-9-13-12(15)10-14(2)11-7-5-4-6-8-11/h3,11H,1,4-10H2,2H3,(H,13,15).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide?
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 51072753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).