2-methyl-3-(2-methylpropylimino)hexanoic acid

C11H21NO2 — CID 91491837

IUPAC2-methyl-3-(2-methylpropylimino)hexanoic acid
SMILESCCC/C(=N\CC(C)C)C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-5-6-10(9(4)11(13)14)12-7-8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-10+
InChIKeyUDEWCXZZRVCSDQ-ZRDIBKRKSA-N
MW199.29 g/mol
LogP2.60
Rot. Bonds6

About 2-methyl-3-(2-methylpropylimino)hexanoic acid

2-methyl-3-(2-methylpropylimino)hexanoic acid (PubChem CID 91491837) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropylimino)hexanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropylimino)hexanoic acid
PubChem CID91491837
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-3-(2-methylpropylimino)hexanoic acid
SMILESCCC/C(=N\CC(C)C)C(C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-5-6-10(9(4)11(13)14)12-7-8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-10+
InChIKeyUDEWCXZZRVCSDQ-ZRDIBKRKSA-N
XLogP2.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-(2-methylpropylimino)hexanoic acid?
The IUPAC name of 2-methyl-3-(2-methylpropylimino)hexanoic acid (CID 91491837) is 2-methyl-3-(2-methylpropylimino)hexanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpropylimino)hexanoic acid?
The canonical SMILES for 2-methyl-3-(2-methylpropylimino)hexanoic acid is CCC/C(=N\CC(C)C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methylpropylimino)hexanoic acid?
The InChIKey is UDEWCXZZRVCSDQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(9(4)11(13)14)12-7-8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/b12-10+.
What are the key properties of 2-methyl-3-(2-methylpropylimino)hexanoic acid?
2-methyl-3-(2-methylpropylimino)hexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropylimino)hexanoic acid is sourced from PubChem (CID 91491837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).