N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide

C8H17N3O — CID 126612660

IUPACN'-[(4R)-4-amino-5-oxohexyl]ethanimidamide
SMILESCC(=O)[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C8H17N3O/c1-6(12)8(10)4-3-5-11-7(2)9/h8H,3-5,10H2,1-2H3,(H2,9,11)/t8-/m1/s1
InChIKeyFMQBPKNKLATFFS-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.06
Rot. Bonds5

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

N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide (PubChem CID 126612660) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4R)-4-amino-5-oxohexyl]ethanimidamide
PubChem CID126612660
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-[(4R)-4-amino-5-oxohexyl]ethanimidamide
SMILESCC(=O)[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C8H17N3O/c1-6(12)8(10)4-3-5-11-7(2)9/h8H,3-5,10H2,1-2H3,(H2,9,11)/t8-/m1/s1
InChIKeyFMQBPKNKLATFFS-MRVPVSSYSA-N
XLogP0.06
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.06
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'-[(4R)-4-amino-5-oxohexyl]ethanimidamide?
The IUPAC name of N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide (CID 126612660) is N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide.
What is the SMILES notation for N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide?
The canonical SMILES for N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide is CC(=O)[C@H](N)CCC/N=C(\C)N.
What is the InChIKey of N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide?
The InChIKey is FMQBPKNKLATFFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(12)8(10)4-3-5-11-7(2)9/h8H,3-5,10H2,1-2H3,(H2,9,11)/t8-/m1/s1.
What are the key properties of N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide?
N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide is sourced from PubChem (CID 126612660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).