N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide

C8H17N3O — CID 159276876

IUPACN'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide
SMILESC/C(N)=N\CC(N)C(=O)C(C)C
InChIInChI=1S/C8H17N3O/c1-5(2)8(12)7(10)4-11-6(3)9/h5,7H,4,10H2,1-3H3,(H2,9,11)
InChIKeyJNRYTJVEOWJQDH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.08
Rot. Bonds4

About N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide

N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide (PubChem CID 159276876) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide
PubChem CID159276876
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide
SMILESC/C(N)=N\CC(N)C(=O)C(C)C
InChIInChI=1S/C8H17N3O/c1-5(2)8(12)7(10)4-11-6(3)9/h5,7H,4,10H2,1-3H3,(H2,9,11)
InChIKeyJNRYTJVEOWJQDH-UHFFFAOYSA-N
XLogP-0.08
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide?
The IUPAC name of N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide (CID 159276876) is N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide.
What is the SMILES notation for N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide?
The canonical SMILES for N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide is C/C(N)=N\CC(N)C(=O)C(C)C.
What is the InChIKey of N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide?
The InChIKey is JNRYTJVEOWJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5(2)8(12)7(10)4-11-6(3)9/h5,7H,4,10H2,1-3H3,(H2,9,11).
What are the key properties of N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide?
N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-4-methyl-3-oxopentyl)ethanimidamide is sourced from PubChem (CID 159276876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).