2-(hexan-2-ylamino)-N-prop-2-enylacetamide

C11H22N2O — CID 115923519

IUPAC2-(hexan-2-ylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)CCCC
InChIInChI=1S/C11H22N2O/c1-4-6-7-10(3)13-9-11(14)12-8-5-2/h5,10,13H,2,4,6-9H2,1,3H3,(H,12,14)
InChIKeyFZYHBWULOKNJGW-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds8

About 2-(hexan-2-ylamino)-N-prop-2-enylacetamide

2-(hexan-2-ylamino)-N-prop-2-enylacetamide (PubChem CID 115923519) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(hexan-2-ylamino)-N-prop-2-enylacetamide
PubChem CID115923519
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(hexan-2-ylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)CCCC
InChIInChI=1S/C11H22N2O/c1-4-6-7-10(3)13-9-11(14)12-8-5-2/h5,10,13H,2,4,6-9H2,1,3H3,(H,12,14)
InChIKeyFZYHBWULOKNJGW-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745
2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
CID 115923473
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
N-prop-2-enyloctanamide
CID 4071942
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
5-methyl-2-(prop-2-enylamino)non-1-en-3-one
CID 143352205
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
CID 115923531
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746
N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(hexan-2-ylamino)-N-prop-2-enylacetamide (CID 115923519) is 2-(hexan-2-ylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(hexan-2-ylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(hexan-2-ylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)CCCC.
What is the InChIKey of 2-(hexan-2-ylamino)-N-prop-2-enylacetamide?
The InChIKey is FZYHBWULOKNJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-7-10(3)13-9-11(14)12-8-5-2/h5,10,13H,2,4,6-9H2,1,3H3,(H,12,14).
What are the key properties of 2-(hexan-2-ylamino)-N-prop-2-enylacetamide?
2-(hexan-2-ylamino)-N-prop-2-enylacetamide has a molecular weight of 198.31 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 115923519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).