2-ethyl-2-methoxy-N'-propylbutanimidamide

C10H22N2O — CID 116779976

IUPAC2-ethyl-2-methoxy-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(CC)(CC)OC
InChIInChI=1S/C10H22N2O/c1-5-8-12-9(11)10(6-2,7-3)13-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyAZSQQGHOYTZVHQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.96
Rot. Bonds6

About 2-ethyl-2-methoxy-N'-propylbutanimidamide

2-ethyl-2-methoxy-N'-propylbutanimidamide (PubChem CID 116779976) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-N'-propylbutanimidamide.

Molecular Properties

Compound Name2-ethyl-2-methoxy-N'-propylbutanimidamide
PubChem CID116779976
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-ethyl-2-methoxy-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(CC)(CC)OC
InChIInChI=1S/C10H22N2O/c1-5-8-12-9(11)10(6-2,7-3)13-4/h5-8H2,1-4H3,(H2,11,12)
InChIKeyAZSQQGHOYTZVHQ-UHFFFAOYSA-N
XLogP1.96
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-2-methyl-N'-propylpropanimidamide
CID 79197379
2-ethoxy-2-methyl-N'-propylpropanimidamide
CID 116732336
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727
ethane;N'-propylethanimidamide
CID 156797871
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
CID 106190240
4-methoxy-N'-propyloxane-4-carboximidamide
CID 116779981
1,1-dipropoxy-N-propylmethanimine
CID 10932179
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
CID 116732335
1-[3-(hydroxymethyl)pentan-3-yl]-2-propylguanidine
CID 62519833
2-(2-methoxyphenyl)-N'-propylethanimidamide
CID 62049614
2-propylguanidine;sulfuric acid
CID 12725939
ethane;1-hydroxy-2-propylguanidine
CID 162518458

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-N'-propylbutanimidamide?
The IUPAC name of 2-ethyl-2-methoxy-N'-propylbutanimidamide (CID 116779976) is 2-ethyl-2-methoxy-N'-propylbutanimidamide.
What is the SMILES notation for 2-ethyl-2-methoxy-N'-propylbutanimidamide?
The canonical SMILES for 2-ethyl-2-methoxy-N'-propylbutanimidamide is CCC/N=C(\N)C(CC)(CC)OC.
What is the InChIKey of 2-ethyl-2-methoxy-N'-propylbutanimidamide?
The InChIKey is AZSQQGHOYTZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-8-12-9(11)10(6-2,7-3)13-4/h5-8H2,1-4H3,(H2,11,12).
What are the key properties of 2-ethyl-2-methoxy-N'-propylbutanimidamide?
2-ethyl-2-methoxy-N'-propylbutanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-N'-propylbutanimidamide is sourced from PubChem (CID 116779976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).