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

C8H17N3O2 — CID 170320181

IUPAC[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
SMILESC/N=C(\N)OC[C@@H]1CN(C)CCO1
InChIInChI=1S/C8H17N3O2/c1-10-8(9)13-6-7-5-11(2)3-4-12-7/h7H,3-6H2,1-2H3,(H2,9,10)/t7-/m0/s1
InChIKeyACRLXDXKTGYRLG-ZETCQYMHSA-N
MW187.24 g/mol
LogP-0.72
Rot. Bonds2

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

[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate (PubChem CID 170320181) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate.

Molecular Properties

Compound Name[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
PubChem CID170320181
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate
SMILESC/N=C(\N)OC[C@@H]1CN(C)CCO1
InChIInChI=1S/C8H17N3O2/c1-10-8(9)13-6-7-5-11(2)3-4-12-7/h7H,3-6H2,1-2H3,(H2,9,10)/t7-/m0/s1
InChIKeyACRLXDXKTGYRLG-ZETCQYMHSA-N
XLogP-0.72
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
[(2R)-4-methylmorpholin-2-yl]methoxyphosphane
CID 143396445
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
[3-[(4-methylmorpholin-2-yl)methoxy]cyclobutyl]methanamine
CID 79182951
[2-[(4-methylmorpholin-2-yl)methoxymethyl]cyclohexyl]methanamine
CID 79182689
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(2R)-2-(methoxymethyl)-4-methyl-6-[[(2S)-4-methylmorpholin-2-yl]methoxymethyl]morpholine
CID 170006848
2-amino-3-(4-methylmorpholin-2-yl)propanamide
CID 79172417

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate?
The IUPAC name of [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate (CID 170320181) is [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate.
What is the SMILES notation for [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate?
The canonical SMILES for [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate is C/N=C(\N)OC[C@@H]1CN(C)CCO1.
What is the InChIKey of [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate?
The InChIKey is ACRLXDXKTGYRLG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-10-8(9)13-6-7-5-11(2)3-4-12-7/h7H,3-6H2,1-2H3,(H2,9,10)/t7-/m0/s1.
What are the key properties of [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate?
[(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate has a molecular weight of 187.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methylmorpholin-2-yl]methyl N'-methylcarbamimidate is sourced from PubChem (CID 170320181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).