N'-[4-(methylamino)-5-oxohexyl]ethanimidamide

C9H19N3O — CID 21338647

IUPACN'-[4-(methylamino)-5-oxohexyl]ethanimidamide
SMILESCNC(CCC/N=C(\C)N)C(C)=O
InChIInChI=1S/C9H19N3O/c1-7(13)9(11-3)5-4-6-12-8(2)10/h9,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBNQNTESQCNIXOJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.32
Rot. Bonds6

About N'-[4-(methylamino)-5-oxohexyl]ethanimidamide

N'-[4-(methylamino)-5-oxohexyl]ethanimidamide (PubChem CID 21338647) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-[4-(methylamino)-5-oxohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(methylamino)-5-oxohexyl]ethanimidamide
PubChem CID21338647
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-[4-(methylamino)-5-oxohexyl]ethanimidamide
SMILESCNC(CCC/N=C(\C)N)C(C)=O
InChIInChI=1S/C9H19N3O/c1-7(13)9(11-3)5-4-6-12-8(2)10/h9,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBNQNTESQCNIXOJ-UHFFFAOYSA-N
XLogP0.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[4-(methylamino)-5-oxohexyl]ethanimidamide?
The IUPAC name of N'-[4-(methylamino)-5-oxohexyl]ethanimidamide (CID 21338647) is N'-[4-(methylamino)-5-oxohexyl]ethanimidamide.
What is the SMILES notation for N'-[4-(methylamino)-5-oxohexyl]ethanimidamide?
The canonical SMILES for N'-[4-(methylamino)-5-oxohexyl]ethanimidamide is CNC(CCC/N=C(\C)N)C(C)=O.
What is the InChIKey of N'-[4-(methylamino)-5-oxohexyl]ethanimidamide?
The InChIKey is BNQNTESQCNIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(13)9(11-3)5-4-6-12-8(2)10/h9,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of N'-[4-(methylamino)-5-oxohexyl]ethanimidamide?
N'-[4-(methylamino)-5-oxohexyl]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methylamino)-5-oxohexyl]ethanimidamide is sourced from PubChem (CID 21338647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).