2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide

C11H20N2O — CID 115923531

IUPAC2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1(C)CC1
InChIInChI=1S/C11H20N2O/c1-4-7-12-10(14)8-13-9(2)11(3)5-6-11/h4,9,13H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyFZKCSNLAQBBHQQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide

2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide (PubChem CID 115923531) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
PubChem CID115923531
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1(C)CC1
InChIInChI=1S/C11H20N2O/c1-4-7-12-10(14)8-13-9(2)11(3)5-6-11/h4,9,13H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyFZKCSNLAQBBHQQ-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.07
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
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
2-propan-2-yloxy-N-prop-2-enylacetamide
CID 112686662
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
2-hydrazinyl-N-prop-2-enylacetamide
CID 83694224
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-prop-2-enylacetamide
CID 68757114
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide (CID 115923531) is 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)C1(C)CC1.
What is the InChIKey of 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide?
The InChIKey is FZKCSNLAQBBHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-12-10(14)8-13-9(2)11(3)5-6-11/h4,9,13H,1,5-8H2,2-3H3,(H,12,14).
What are the key properties of 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide?
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide has a molecular weight of 196.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115923531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).