N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide

C11H23N3O — CID 59350251

IUPACN'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@@H](N)C(=O)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)11(15)10(13)6-4-5-7-14-9(3)12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/t10-/m1/s1
InChIKeyIQAVXINMNVWZLV-SNVBAGLBSA-N
MW213.32 g/mol
LogP1.09
Rot. Bonds7

About N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide

N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide (PubChem CID 59350251) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide
PubChem CID59350251
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@@H](N)C(=O)C(C)C
InChIInChI=1S/C11H23N3O/c1-8(2)11(15)10(13)6-4-5-7-14-9(3)12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/t10-/m1/s1
InChIKeyIQAVXINMNVWZLV-SNVBAGLBSA-N
XLogP1.09
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.09
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'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide?
The IUPAC name of N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide (CID 59350251) is N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide.
What is the SMILES notation for N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide?
The canonical SMILES for N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide is C/C(N)=N\CCCC[C@@H](N)C(=O)C(C)C.
What is the InChIKey of N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide?
The InChIKey is IQAVXINMNVWZLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)11(15)10(13)6-4-5-7-14-9(3)12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide?
N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5R)-5-amino-7-methyl-6-oxooctyl]ethanimidamide is sourced from PubChem (CID 59350251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).