N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide

C10H23N3O2 — CID 22133349

IUPACN'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide
SMILESCOCC(O)C(N)CCCC/N=C(\C)N
InChIInChI=1S/C10H23N3O2/c1-8(11)13-6-4-3-5-9(12)10(14)7-15-2/h9-10,14H,3-7,12H2,1-2H3,(H2,11,13)
InChIKeyCNVCPCODYRSHKN-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.13
Rot. Bonds8

About N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide

N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide (PubChem CID 22133349) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide
PubChem CID22133349
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide
SMILESCOCC(O)C(N)CCCC/N=C(\C)N
InChIInChI=1S/C10H23N3O2/c1-8(11)13-6-4-3-5-9(12)10(14)7-15-2/h9-10,14H,3-7,12H2,1-2H3,(H2,11,13)
InChIKeyCNVCPCODYRSHKN-UHFFFAOYSA-N
XLogP-0.13
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
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'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide?
The IUPAC name of N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide (CID 22133349) is N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide.
What is the SMILES notation for N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide?
The canonical SMILES for N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide is COCC(O)C(N)CCCC/N=C(\C)N.
What is the InChIKey of N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide?
The InChIKey is CNVCPCODYRSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-8(11)13-6-4-3-5-9(12)10(14)7-15-2/h9-10,14H,3-7,12H2,1-2H3,(H2,11,13).
What are the key properties of N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide?
N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide has a molecular weight of 217.31 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-hydroxy-7-methoxyheptyl)ethanimidamide is sourced from PubChem (CID 22133349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).