2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide

C11H24N2O — CID 116732335

IUPAC2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(OCC)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-13-10(12)9(14-7-2)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13)
InChIKeyFTMWOYSJIQDAJR-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.20
Rot. Bonds5

About 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide

2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide (PubChem CID 116732335) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
PubChem CID116732335
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(OCC)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-13-10(12)9(14-7-2)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13)
InChIKeyFTMWOYSJIQDAJR-UHFFFAOYSA-N
XLogP2.20
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.20
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

6-(2-fluoropropan-2-yl)-3,6-dihydro-2H-1,4-oxazin-5-amine
CID 123986836
N'-(2-methoxyethyl)-4,4-dimethylpentanimidamide
CID 59192978
N'-(2-methoxypropyl)butanimidamide
CID 102701010
N'-(2-ethoxybutyl)ethanimidamide
CID 155258698
N'-(2-ethoxyethyl)butanimidamide
CID 63174336
N'-[2-(3-methylbutoxy)ethyl]butanimidamide
CID 63177768
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
N'-(2-methoxyethyl)-2-methylbutanimidamide
CID 63717820
N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
CID 63891978
2-ethoxy-N'-(2-methylpropyl)propanimidamide
CID 64532632
2-ethoxy-N'-(2-methoxyethyl)propanimidamide
CID 64532633
2-ethoxy-N'-ethylpropanimidamide
CID 64535653

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide?
The IUPAC name of 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide (CID 116732335) is 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide is CCC/N=C(\N)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide?
The InChIKey is FTMWOYSJIQDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-8-13-10(12)9(14-7-2)11(3,4)5/h9H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide?
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide is sourced from PubChem (CID 116732335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).