[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate

C10H19NO2 — CID 174748520

IUPAC[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C/N=C/C(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-7-10(4,5)13-9(3)12/h6,8H,7H2,1-5H3/b11-6+
InChIKeyOXCINXCCBCGKNT-IZZDOVSWSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds4

About [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate

[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate (PubChem CID 174748520) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate
PubChem CID174748520
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C/N=C/C(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)6-11-7-10(4,5)13-9(3)12/h6,8H,7H2,1-5H3/b11-6+
InChIKeyOXCINXCCBCGKNT-IZZDOVSWSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate?
The IUPAC name of [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate (CID 174748520) is [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate is CC(=O)OC(C)(C)C/N=C/C(C)C.
What is the InChIKey of [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate?
The InChIKey is OXCINXCCBCGKNT-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-11-7-10(4,5)13-9(3)12/h6,8H,7H2,1-5H3/b11-6+.
What are the key properties of [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate?
[2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylpropylideneamino)propan-2-yl] acetate is sourced from PubChem (CID 174748520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).