2-methyl-5-methyliminohexanoic acid

C8H15NO2 — CID 20759753

IUPAC2-methyl-5-methyliminohexanoic acid
SMILESC/N=C(\C)CCC(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)4-5-7(2)9-3/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+
InChIKeyFBTXFNSMHDESKS-VQHVLOKHSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds4

About 2-methyl-5-methyliminohexanoic acid

2-methyl-5-methyliminohexanoic acid (PubChem CID 20759753) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-5-methyliminohexanoic acid.

Molecular Properties

Compound Name2-methyl-5-methyliminohexanoic acid
PubChem CID20759753
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-5-methyliminohexanoic acid
SMILESC/N=C(\C)CCC(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(8(10)11)4-5-7(2)9-3/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+
InChIKeyFBTXFNSMHDESKS-VQHVLOKHSA-N
XLogP1.58
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
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-5-methyliminohexanoic acid?
The IUPAC name of 2-methyl-5-methyliminohexanoic acid (CID 20759753) is 2-methyl-5-methyliminohexanoic acid.
What is the SMILES notation for 2-methyl-5-methyliminohexanoic acid?
The canonical SMILES for 2-methyl-5-methyliminohexanoic acid is C/N=C(\C)CCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-methyliminohexanoic acid?
The InChIKey is FBTXFNSMHDESKS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(10)11)4-5-7(2)9-3/h6H,4-5H2,1-3H3,(H,10,11)/b9-7+.
What are the key properties of 2-methyl-5-methyliminohexanoic acid?
2-methyl-5-methyliminohexanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methyliminohexanoic acid is sourced from PubChem (CID 20759753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).