3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide

C10H21N3O — CID 43613280

IUPAC3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1CC
InChIInChI=1S/C10H21N3O/c1-3-9-7-14-5-4-13(9)6-8(2)10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyHAYVBNCAXWJWPT-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds4

About 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide

3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide (PubChem CID 43613280) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide
PubChem CID43613280
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1CC
InChIInChI=1S/C10H21N3O/c1-3-9-7-14-5-4-13(9)6-8(2)10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12)
InChIKeyHAYVBNCAXWJWPT-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.67
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

2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
3,3,3-Trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370582
2-[(2,5-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370583
2-[(3-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370593
2-[(3,3-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370629
2-[(5-Ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 113808130
2-Methyl-1-morpholin-4-ylpropan-1-imine
CID 57640524
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
CID 167020326
3-(2,6-Dimethylmorpholin-4-yl)propanamidine
CID 24691585
3-(2-Methylmorpholin-4-yl)propanimidamide
CID 24710324
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174307
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanimidamide
CID 28174310

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide (CID 43613280) is 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCOCC1CC.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide?
The InChIKey is HAYVBNCAXWJWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-9-7-14-5-4-13(9)6-8(2)10(11)12/h8-9H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide?
3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-2-methylpropanimidamide is sourced from PubChem (CID 43613280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).