N-[2-(butylaminomethyl)prop-2-enyl]acetamide

C10H20N2O — CID 130182860

IUPACN-[2-(butylaminomethyl)prop-2-enyl]acetamide
SMILESC=C(CNCCCC)CNC(C)=O
InChIInChI=1S/C10H20N2O/c1-4-5-6-11-7-9(2)8-12-10(3)13/h11H,2,4-8H2,1,3H3,(H,12,13)
InChIKeyFLMXBASSRYKZNE-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds7

About N-[2-(butylaminomethyl)prop-2-enyl]acetamide

N-[2-(butylaminomethyl)prop-2-enyl]acetamide (PubChem CID 130182860) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(butylaminomethyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[2-(butylaminomethyl)prop-2-enyl]acetamide
PubChem CID130182860
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(butylaminomethyl)prop-2-enyl]acetamide
SMILESC=C(CNCCCC)CNC(C)=O
InChIInChI=1S/C10H20N2O/c1-4-5-6-11-7-9(2)8-12-10(3)13/h11H,2,4-8H2,1,3H3,(H,12,13)
InChIKeyFLMXBASSRYKZNE-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(butylaminomethyl)prop-2-enyl]acetamide?
The IUPAC name of N-[2-(butylaminomethyl)prop-2-enyl]acetamide (CID 130182860) is N-[2-(butylaminomethyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[2-(butylaminomethyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[2-(butylaminomethyl)prop-2-enyl]acetamide is C=C(CNCCCC)CNC(C)=O.
What is the InChIKey of N-[2-(butylaminomethyl)prop-2-enyl]acetamide?
The InChIKey is FLMXBASSRYKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-11-7-9(2)8-12-10(3)13/h11H,2,4-8H2,1,3H3,(H,12,13).
What are the key properties of N-[2-(butylaminomethyl)prop-2-enyl]acetamide?
N-[2-(butylaminomethyl)prop-2-enyl]acetamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylaminomethyl)prop-2-enyl]acetamide is sourced from PubChem (CID 130182860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).