2-(3-methylbut-3-enylamino)acetamide

C7H14N2O — CID 114471988

IUPAC2-(3-methylbut-3-enylamino)acetamide
SMILESC=C(C)CCNCC(N)=O
InChIInChI=1S/C7H14N2O/c1-6(2)3-4-9-5-7(8)10/h9H,1,3-5H2,2H3,(H2,8,10)
InChIKeyJMYQIQXHLLGKPC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.03
Rot. Bonds5

About 2-(3-methylbut-3-enylamino)acetamide

2-(3-methylbut-3-enylamino)acetamide (PubChem CID 114471988) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-methylbut-3-enylamino)acetamide.

Molecular Properties

Compound Name2-(3-methylbut-3-enylamino)acetamide
PubChem CID114471988
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(3-methylbut-3-enylamino)acetamide
SMILESC=C(C)CCNCC(N)=O
InChIInChI=1S/C7H14N2O/c1-6(2)3-4-9-5-7(8)10/h9H,1,3-5H2,2H3,(H2,8,10)
InChIKeyJMYQIQXHLLGKPC-UHFFFAOYSA-N
XLogP0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-3-methylbut-3-en-1-amine
CID 114472547
2-(propylamino)acetamide
CID 15839438
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
2-methylprop-2-enylurea
CID 22226516
2-(3-methylbut-3-enylamino)propanamide
CID 114472047
2-(2-methylidenebutylamino)acetamide
CID 66047349
3-[(3-chloro-2-methylprop-2-enyl)amino]propanamide
CID 106437480
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
2-(3-aminopropylamino)acetamide
CID 59908103
6-[(2-amino-2-oxoethyl)amino]-4,4-dimethylhexanoic acid
CID 65287286
3-methylbut-3-enamide;molecular hydrogen
CID 153357956
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enylamino)acetamide?
The IUPAC name of 2-(3-methylbut-3-enylamino)acetamide (CID 114471988) is 2-(3-methylbut-3-enylamino)acetamide.
What is the SMILES notation for 2-(3-methylbut-3-enylamino)acetamide?
The canonical SMILES for 2-(3-methylbut-3-enylamino)acetamide is C=C(C)CCNCC(N)=O.
What is the InChIKey of 2-(3-methylbut-3-enylamino)acetamide?
The InChIKey is JMYQIQXHLLGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(2)3-4-9-5-7(8)10/h9H,1,3-5H2,2H3,(H2,8,10).
What are the key properties of 2-(3-methylbut-3-enylamino)acetamide?
2-(3-methylbut-3-enylamino)acetamide has a molecular weight of 142.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enylamino)acetamide is sourced from PubChem (CID 114471988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).