1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine

C10H20N2O — CID 23165394

IUPAC1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine
SMILES[H]/N=C(\COC/C(=N/[H])C(C)C)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-8,11-12H,5-6H2,1-4H3/b11-9-,12-10+
InChIKeyGPTFSTCGJACCKD-DSOJMZEYSA-N
MW184.28 g/mol
LogP2.35
Rot. Bonds6

About 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine

1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine (PubChem CID 23165394) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine.

Molecular Properties

Compound Name1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine
PubChem CID23165394
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine
SMILES[H]/N=C(\COC/C(=N/[H])C(C)C)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-8,11-12H,5-6H2,1-4H3/b11-9-,12-10+
InChIKeyGPTFSTCGJACCKD-DSOJMZEYSA-N
XLogP2.35
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine?
The IUPAC name of 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine (CID 23165394) is 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine.
What is the SMILES notation for 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine?
The canonical SMILES for 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine is [H]/N=C(\COC/C(=N/[H])C(C)C)C(C)C.
What is the InChIKey of 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine?
The InChIKey is GPTFSTCGJACCKD-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)9(11)5-13-6-10(12)8(3)4/h7-8,11-12H,5-6H2,1-4H3/b11-9-,12-10+.
What are the key properties of 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine?
1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine has a molecular weight of 184.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-3-methylbutoxy)-3-methylbutan-2-imine is sourced from PubChem (CID 23165394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).