N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide

C9H21N3O2 — CID 10560089

IUPACN'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)[C@H](O)CO
InChIInChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9+/m0/s1
InChIKeySWFGZPKOOOLHNM-DTWKUNHWSA-N
MW203.29 g/mol
LogP-0.79
Rot. Bonds7

About N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide

N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide (PubChem CID 10560089) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide
PubChem CID10560089
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide
SMILESC/C(N)=N\CCCC[C@H](N)[C@H](O)CO
InChIInChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9+/m0/s1
InChIKeySWFGZPKOOOLHNM-DTWKUNHWSA-N
XLogP-0.79
TPSA104.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide?
The IUPAC name of N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide (CID 10560089) is N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide.
What is the SMILES notation for N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide?
The canonical SMILES for N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide is C/C(N)=N\CCCC[C@H](N)[C@H](O)CO.
What is the InChIKey of N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide?
The InChIKey is SWFGZPKOOOLHNM-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9+/m0/s1.
What are the key properties of N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide?
N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide has a molecular weight of 203.29 g/mol, XLogP of -0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S,6S)-5-amino-6,7-dihydroxyheptyl]ethanimidamide is sourced from PubChem (CID 10560089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).