2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide

C10H22N2O — CID 116732358

IUPAC2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
SMILESCCOC(/C(N)=N/C(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-6-13-9(7(2)3)10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H2,11,12)
InChIKeyNZGMIJXYUUZNQZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.81
Rot. Bonds5

About 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide

2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide (PubChem CID 116732358) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide.

Molecular Properties

Compound Name2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
PubChem CID116732358
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
SMILESCCOC(/C(N)=N/C(C)C)C(C)C
InChIInChI=1S/C10H22N2O/c1-6-13-9(7(2)3)10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H2,11,12)
InChIKeyNZGMIJXYUUZNQZ-UHFFFAOYSA-N
XLogP1.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.81
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'}

Analyze 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-amino-2-ethoxy-3-methylbutanimidamide
CID 104893162
2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
2-ethoxy-3-methylbutanoate
CID 23183641
(2S)-2-amino-N'-propan-2-ylpropanimidamide
CID 153012728
2,2-diethoxy-N'-hydroxyethanimidamide
CID 40607073
2-methoxy-3,3-dimethyl-N'-propan-2-ylbutanimidamide
CID 116732354
5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
CID 116732335
acetamide;1-ethoxyethanol
CID 175470032
ethanamine;1-ethoxyethanol
CID 20501270
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
CID 116708607

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide?
The IUPAC name of 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide (CID 116732358) is 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide.
What is the SMILES notation for 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide?
The canonical SMILES for 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide is CCOC(/C(N)=N/C(C)C)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide?
The InChIKey is NZGMIJXYUUZNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-6-13-9(7(2)3)10(11)12-8(4)5/h7-9H,6H2,1-5H3,(H2,11,12).
What are the key properties of 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide?
2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide is sourced from PubChem (CID 116732358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).