2-amino-N-(2-methylprop-2-enyl)pentanediamide

C9H17N3O2 — CID 87764979

IUPAC2-amino-N-(2-methylprop-2-enyl)pentanediamide
SMILESC=C(C)CNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(2)5-12-9(14)7(10)3-4-8(11)13/h7H,1,3-5,10H2,2H3,(H2,11,13)(H,12,14)
InChIKeyLRJIYHVQJSBYMW-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.73
Rot. Bonds6

About 2-amino-N-(2-methylprop-2-enyl)pentanediamide

2-amino-N-(2-methylprop-2-enyl)pentanediamide (PubChem CID 87764979) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-N-(2-methylprop-2-enyl)pentanediamide.

Molecular Properties

Compound Name2-amino-N-(2-methylprop-2-enyl)pentanediamide
PubChem CID87764979
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-N-(2-methylprop-2-enyl)pentanediamide
SMILESC=C(C)CNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(2)5-12-9(14)7(10)3-4-8(11)13/h7H,1,3-5,10H2,2H3,(H2,11,13)(H,12,14)
InChIKeyLRJIYHVQJSBYMW-UHFFFAOYSA-N
XLogP-0.73
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-N-(2-methylprop-2-enyl)pentanediamide?
The IUPAC name of 2-amino-N-(2-methylprop-2-enyl)pentanediamide (CID 87764979) is 2-amino-N-(2-methylprop-2-enyl)pentanediamide.
What is the SMILES notation for 2-amino-N-(2-methylprop-2-enyl)pentanediamide?
The canonical SMILES for 2-amino-N-(2-methylprop-2-enyl)pentanediamide is C=C(C)CNC(=O)C(N)CCC(N)=O.
What is the InChIKey of 2-amino-N-(2-methylprop-2-enyl)pentanediamide?
The InChIKey is LRJIYHVQJSBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)5-12-9(14)7(10)3-4-8(11)13/h7H,1,3-5,10H2,2H3,(H2,11,13)(H,12,14).
What are the key properties of 2-amino-N-(2-methylprop-2-enyl)pentanediamide?
2-amino-N-(2-methylprop-2-enyl)pentanediamide has a molecular weight of 199.25 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylprop-2-enyl)pentanediamide is sourced from PubChem (CID 87764979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).