2-[(7S)-7-amino-6-oxooctyl]guanidine

C9H20N4O — CID 58329116

IUPAC2-[(7S)-7-amino-6-oxooctyl]guanidine
SMILESC[C@H](N)C(=O)CCCCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-7(10)8(14)5-3-2-4-6-13-9(11)12/h7H,2-6,10H2,1H3,(H4,11,12,13)/t7-/m0/s1
InChIKeyMIYLFIAZQMCDRB-ZETCQYMHSA-N
MW200.29 g/mol
LogP-0.26
Rot. Bonds7

About 2-[(7S)-7-amino-6-oxooctyl]guanidine

2-[(7S)-7-amino-6-oxooctyl]guanidine (PubChem CID 58329116) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[(7S)-7-amino-6-oxooctyl]guanidine.

Molecular Properties

Compound Name2-[(7S)-7-amino-6-oxooctyl]guanidine
PubChem CID58329116
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[(7S)-7-amino-6-oxooctyl]guanidine
SMILESC[C@H](N)C(=O)CCCCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-7(10)8(14)5-3-2-4-6-13-9(11)12/h7H,2-6,10H2,1H3,(H4,11,12,13)/t7-/m0/s1
InChIKeyMIYLFIAZQMCDRB-ZETCQYMHSA-N
XLogP-0.26
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.26
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 2-[(7S)-7-amino-6-oxooctyl]guanidine?
The IUPAC name of 2-[(7S)-7-amino-6-oxooctyl]guanidine (CID 58329116) is 2-[(7S)-7-amino-6-oxooctyl]guanidine.
What is the SMILES notation for 2-[(7S)-7-amino-6-oxooctyl]guanidine?
The canonical SMILES for 2-[(7S)-7-amino-6-oxooctyl]guanidine is C[C@H](N)C(=O)CCCCCN=C(N)N.
What is the InChIKey of 2-[(7S)-7-amino-6-oxooctyl]guanidine?
The InChIKey is MIYLFIAZQMCDRB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(10)8(14)5-3-2-4-6-13-9(11)12/h7H,2-6,10H2,1H3,(H4,11,12,13)/t7-/m0/s1.
What are the key properties of 2-[(7S)-7-amino-6-oxooctyl]guanidine?
2-[(7S)-7-amino-6-oxooctyl]guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-amino-6-oxooctyl]guanidine is sourced from PubChem (CID 58329116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).