N-(1-methoxyethyliminomethyl)ethanimidamide

C6H13N3O — CID 176529079

IUPACN-(1-methoxyethyliminomethyl)ethanimidamide
SMILES[H]/N=C(\C)NC=NC(C)OC
InChIInChI=1S/C6H13N3O/c1-5(7)8-4-9-6(2)10-3/h4,6H,1-3H3,(H2,7,8,9)
InChIKeyHUEXNAGJTIGDCC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.59
Rot. Bonds3

About N-(1-methoxyethyliminomethyl)ethanimidamide

N-(1-methoxyethyliminomethyl)ethanimidamide (PubChem CID 176529079) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-methoxyethyliminomethyl)ethanimidamide.

Molecular Properties

Compound NameN-(1-methoxyethyliminomethyl)ethanimidamide
PubChem CID176529079
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-(1-methoxyethyliminomethyl)ethanimidamide
SMILES[H]/N=C(\C)NC=NC(C)OC
InChIInChI=1S/C6H13N3O/c1-5(7)8-4-9-6(2)10-3/h4,6H,1-3H3,(H2,7,8,9)
InChIKeyHUEXNAGJTIGDCC-UHFFFAOYSA-N
XLogP0.59
TPSA57.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1-methoxyethyl)-N-methylethane-1,2-diimine
CID 163808550
4-methoxy-3-methylpentan-2-imine
CID 174533690
(2R)-2-methoxypropanimidamide
CID 11768515
(Z)-5-methoxyhex-3-en-2-imine
CID 123705474
N,N-diethyl-2-methoxypropanimidamide
CID 79605131
N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
CID 176545674
(5S)-4-imino-5-methoxyhexane-2,3-diol
CID 171517765
N-(2-ethylidenehydrazinyl)ethanimidamide
CID 176524112
methyl N-(2,2-dimethylpropylidene)carbamimidate
CID 154035854
methyl 2-propan-2-yloxybut-2-enimidate
CID 123744792
methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate
CID 86182847
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyliminomethyl)ethanimidamide?
The IUPAC name of N-(1-methoxyethyliminomethyl)ethanimidamide (CID 176529079) is N-(1-methoxyethyliminomethyl)ethanimidamide.
What is the SMILES notation for N-(1-methoxyethyliminomethyl)ethanimidamide?
The canonical SMILES for N-(1-methoxyethyliminomethyl)ethanimidamide is [H]/N=C(\C)NC=NC(C)OC.
What is the InChIKey of N-(1-methoxyethyliminomethyl)ethanimidamide?
The InChIKey is HUEXNAGJTIGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(7)8-4-9-6(2)10-3/h4,6H,1-3H3,(H2,7,8,9).
What are the key properties of N-(1-methoxyethyliminomethyl)ethanimidamide?
N-(1-methoxyethyliminomethyl)ethanimidamide has a molecular weight of 143.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyliminomethyl)ethanimidamide is sourced from PubChem (CID 176529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).