2-(2-methylpropylamino)-N-prop-2-enylacetamide

C9H18N2O — CID 86129673

IUPAC2-(2-methylpropylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-9(12)7-10-6-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyJLGOURJARRVRMJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.53
Rot. Bonds6

About 2-(2-methylpropylamino)-N-prop-2-enylacetamide

2-(2-methylpropylamino)-N-prop-2-enylacetamide (PubChem CID 86129673) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-N-prop-2-enylacetamide
PubChem CID86129673
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-methylpropylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCC(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-11-9(12)7-10-6-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12)
InChIKeyJLGOURJARRVRMJ-UHFFFAOYSA-N
XLogP0.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
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-(2-methylpropylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-methylpropylamino)-N-prop-2-enylacetamide (CID 86129673) is 2-(2-methylpropylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-methylpropylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-methylpropylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNCC(C)C.
What is the InChIKey of 2-(2-methylpropylamino)-N-prop-2-enylacetamide?
The InChIKey is JLGOURJARRVRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-11-9(12)7-10-6-8(2)3/h4,8,10H,1,5-7H2,2-3H3,(H,11,12).
What are the key properties of 2-(2-methylpropylamino)-N-prop-2-enylacetamide?
2-(2-methylpropylamino)-N-prop-2-enylacetamide has a molecular weight of 170.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 86129673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).