2-methoxy-3-methyliminoprop-1-en-1-amine

C5H10N2O — CID 146985540

IUPAC2-methoxy-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)OC
InChIInChI=1S/C5H10N2O/c1-7-4-5(3-6)8-2/h3-4H,6H2,1-2H3/b5-3?,7-4+
InChIKeyOKBLTMAMZQNIRR-WWSNNFSYSA-N
MW114.15 g/mol
LogP0.13
Rot. Bonds2

About 2-methoxy-3-methyliminoprop-1-en-1-amine

2-methoxy-3-methyliminoprop-1-en-1-amine (PubChem CID 146985540) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-methoxy-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyliminoprop-1-en-1-amine
PubChem CID146985540
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-methoxy-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=CN)OC
InChIInChI=1S/C5H10N2O/c1-7-4-5(3-6)8-2/h3-4H,6H2,1-2H3/b5-3?,7-4+
InChIKeyOKBLTMAMZQNIRR-WWSNNFSYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2'-Aminoethylimino)-2-ethoxypropene
CID 129791582
5-Methoxy-1,2-dihydropyrimidine
CID 19045882
(E)-3-ethenylimino-2-methoxyprop-1-en-1-amine
CID 87085172
(E)-2-methoxy-3-methyliminoprop-1-en-1-amine
CID 88067985
(E)-1-amino-3-methyliminoprop-1-en-2-ol
CID 88931037
(E)-3-imino-2-methoxyprop-1-en-1-amine
CID 89279236
(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine
CID 130354422
(E)-3-ethylimino-2-propan-2-yloxyprop-1-en-1-amine
CID 132082221
N-ethenyl-2-methoxyprop-2-en-1-imine
CID 143723017
(E)-2-ethoxy-3-iminoprop-1-en-1-amine
CID 145142641
(Z)-3-(1-methoxyethenylimino)-2-methylprop-1-en-1-amine
CID 154044655
3-Methoxyazete
CID 154483457

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-methoxy-3-methyliminoprop-1-en-1-amine (CID 146985540) is 2-methoxy-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-methoxy-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-methoxy-3-methyliminoprop-1-en-1-amine is C/N=C/C(=CN)OC.
What is the InChIKey of 2-methoxy-3-methyliminoprop-1-en-1-amine?
The InChIKey is OKBLTMAMZQNIRR-WWSNNFSYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-4-5(3-6)8-2/h3-4H,6H2,1-2H3/b5-3?,7-4+.
What are the key properties of 2-methoxy-3-methyliminoprop-1-en-1-amine?
2-methoxy-3-methyliminoprop-1-en-1-amine has a molecular weight of 114.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 146985540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).