N'-(5-aminononyl)ethanimidamide

C11H25N3 — CID 22133385

IUPACN'-(5-aminononyl)ethanimidamide
SMILESCCCCC(N)CCCC/N=C(\C)N
InChIInChI=1S/C11H25N3/c1-3-4-7-11(13)8-5-6-9-14-10(2)12/h11H,3-9,13H2,1-2H3,(H2,12,14)
InChIKeyYWEJNYDJLBHAEE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.05
Rot. Bonds8

About N'-(5-aminononyl)ethanimidamide

N'-(5-aminononyl)ethanimidamide (PubChem CID 22133385) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-(5-aminononyl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-aminononyl)ethanimidamide
PubChem CID22133385
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-(5-aminononyl)ethanimidamide
SMILESCCCCC(N)CCCC/N=C(\C)N
InChIInChI=1S/C11H25N3/c1-3-4-7-11(13)8-5-6-9-14-10(2)12/h11H,3-9,13H2,1-2H3,(H2,12,14)
InChIKeyYWEJNYDJLBHAEE-UHFFFAOYSA-N
XLogP2.05
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-aminononyl)ethanimidamide?
The IUPAC name of N'-(5-aminononyl)ethanimidamide (CID 22133385) is N'-(5-aminononyl)ethanimidamide.
What is the SMILES notation for N'-(5-aminononyl)ethanimidamide?
The canonical SMILES for N'-(5-aminononyl)ethanimidamide is CCCCC(N)CCCC/N=C(\C)N.
What is the InChIKey of N'-(5-aminononyl)ethanimidamide?
The InChIKey is YWEJNYDJLBHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-4-7-11(13)8-5-6-9-14-10(2)12/h11H,3-9,13H2,1-2H3,(H2,12,14).
What are the key properties of N'-(5-aminononyl)ethanimidamide?
N'-(5-aminononyl)ethanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-aminononyl)ethanimidamide is sourced from PubChem (CID 22133385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).