3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide

C9H18N2O — CID 106187322

IUPAC3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)CN
InChIInChI=1S/C9H18N2O/c1-7(2)4-5-11-9(12)8(3)6-10/h4,8H,5-6,10H2,1-3H3,(H,11,12)
InChIKeyFEAFVQNSXXBZRY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide

3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide (PubChem CID 106187322) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide
PubChem CID106187322
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)CN
InChIInChI=1S/C9H18N2O/c1-7(2)4-5-11-9(12)8(3)6-10/h4,8H,5-6,10H2,1-3H3,(H,11,12)
InChIKeyFEAFVQNSXXBZRY-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
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 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide (CID 106187322) is 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide is CC(C)=CCNC(=O)C(C)CN.
What is the InChIKey of 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is FEAFVQNSXXBZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)4-5-11-9(12)8(3)6-10/h4,8H,5-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide?
3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 106187322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).