4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid

C11H21NO2 — CID 65289617

IUPAC4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid
SMILESC=C(C)CNCCC(C)CCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9(2)8-12-7-6-10(3)4-5-11(13)14/h10,12H,1,4-8H2,2-3H3,(H,13,14)
InChIKeyAWHDLQQNXMBXCX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds8

About 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid

4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid (PubChem CID 65289617) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid
PubChem CID65289617
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid
SMILESC=C(C)CNCCC(C)CCC(=O)O
InChIInChI=1S/C11H21NO2/c1-9(2)8-12-7-6-10(3)4-5-11(13)14/h10,12H,1,4-8H2,2-3H3,(H,13,14)
InChIKeyAWHDLQQNXMBXCX-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid?
The IUPAC name of 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid (CID 65289617) is 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid.
What is the SMILES notation for 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid?
The canonical SMILES for 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid is C=C(C)CNCCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid?
The InChIKey is AWHDLQQNXMBXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)8-12-7-6-10(3)4-5-11(13)14/h10,12H,1,4-8H2,2-3H3,(H,13,14).
What are the key properties of 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid?
4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylprop-2-enylamino)hexanoic acid is sourced from PubChem (CID 65289617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).