(6R)-6-amino-7-oxooctanimidamide

C8H17N3O — CID 154955518

IUPAC(6R)-6-amino-7-oxooctanimidamide
SMILES[H]/N=C(\N)CCCC[C@@H](N)C(C)=O
InChIInChI=1S/C8H17N3O/c1-6(12)7(9)4-2-3-5-8(10)11/h7H,2-5,9H2,1H3,(H3,10,11)/t7-/m1/s1
InChIKeySSRHSNWDGKQLMM-SSDOTTSWSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds6

About (6R)-6-amino-7-oxooctanimidamide

(6R)-6-amino-7-oxooctanimidamide (PubChem CID 154955518) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (6R)-6-amino-7-oxooctanimidamide.

Molecular Properties

Compound Name(6R)-6-amino-7-oxooctanimidamide
PubChem CID154955518
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(6R)-6-amino-7-oxooctanimidamide
SMILES[H]/N=C(\N)CCCC[C@@H](N)C(C)=O
InChIInChI=1S/C8H17N3O/c1-6(12)7(9)4-2-3-5-8(10)11/h7H,2-5,9H2,1H3,(H3,10,11)/t7-/m1/s1
InChIKeySSRHSNWDGKQLMM-SSDOTTSWSA-N
XLogP0.40
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
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 (6R)-6-amino-7-oxooctanimidamide?
The IUPAC name of (6R)-6-amino-7-oxooctanimidamide (CID 154955518) is (6R)-6-amino-7-oxooctanimidamide.
What is the SMILES notation for (6R)-6-amino-7-oxooctanimidamide?
The canonical SMILES for (6R)-6-amino-7-oxooctanimidamide is [H]/N=C(\N)CCCC[C@@H](N)C(C)=O.
What is the InChIKey of (6R)-6-amino-7-oxooctanimidamide?
The InChIKey is SSRHSNWDGKQLMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(12)7(9)4-2-3-5-8(10)11/h7H,2-5,9H2,1H3,(H3,10,11)/t7-/m1/s1.
What are the key properties of (6R)-6-amino-7-oxooctanimidamide?
(6R)-6-amino-7-oxooctanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-amino-7-oxooctanimidamide is sourced from PubChem (CID 154955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).