N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide

C8H17N3O2 — CID 173488188

IUPACN-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide
SMILESC=C(COCN)NC(C)=NCOC
InChIInChI=1S/C8H17N3O2/c1-7(4-13-5-9)11-8(2)10-6-12-3/h1,4-6,9H2,2-3H3,(H,10,11)
InChIKeyKYXSLMGTGFKNDZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.04
Rot. Bonds6

About N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide

N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide (PubChem CID 173488188) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide.

Molecular Properties

Compound NameN-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide
PubChem CID173488188
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide
SMILESC=C(COCN)NC(C)=NCOC
InChIInChI=1S/C8H17N3O2/c1-7(4-13-5-9)11-8(2)10-6-12-3/h1,4-6,9H2,2-3H3,(H,10,11)
InChIKeyKYXSLMGTGFKNDZ-UHFFFAOYSA-N
XLogP0.04
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide?
The IUPAC name of N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide (CID 173488188) is N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide.
What is the SMILES notation for N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide?
The canonical SMILES for N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide is C=C(COCN)NC(C)=NCOC.
What is the InChIKey of N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide?
The InChIKey is KYXSLMGTGFKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-7(4-13-5-9)11-8(2)10-6-12-3/h1,4-6,9H2,2-3H3,(H,10,11).
What are the key properties of N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide?
N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethoxy)prop-1-en-2-yl]-N'-(methoxymethyl)ethanimidamide is sourced from PubChem (CID 173488188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).