N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide

C8H17N3O — CID 78932018

IUPACN'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CN(C)CCO1
InChIInChI=1S/C8H17N3O/c1-7(9)10-5-8-6-11(2)3-4-12-8/h8H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWLNJZIMKHXPJQA-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.31
Rot. Bonds2

About N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide

N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide (PubChem CID 78932018) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
PubChem CID78932018
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1CN(C)CCO1
InChIInChI=1S/C8H17N3O/c1-7(9)10-5-8-6-11(2)3-4-12-8/h8H,3-6H2,1-2H3,(H2,9,10)
InChIKeyWLNJZIMKHXPJQA-UHFFFAOYSA-N
XLogP-0.31
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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

1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
CID 78932017
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
CID 110927714
[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
CID 170320181
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
1-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454
O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
2-amino-3-(4-methylmorpholin-2-yl)propanamide
CID 79172417
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide?
The IUPAC name of N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide (CID 78932018) is N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide?
The canonical SMILES for N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide is C/C(N)=N\CC1CN(C)CCO1.
What is the InChIKey of N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide?
The InChIKey is WLNJZIMKHXPJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(9)10-5-8-6-11(2)3-4-12-8/h8H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide?
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide is sourced from PubChem (CID 78932018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).