4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine

C11H23NO — CID 166763406

IUPAC4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine
SMILESC=C(C)CCOC(C)(C)CC(C)N
InChIInChI=1S/C11H23NO/c1-9(2)6-7-13-11(4,5)8-10(3)12/h10H,1,6-8,12H2,2-5H3
InChIKeyGFWWSUZIJCDTEC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds6

About 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine

4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine (PubChem CID 166763406) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine
PubChem CID166763406
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine
SMILESC=C(C)CCOC(C)(C)CC(C)N
InChIInChI=1S/C11H23NO/c1-9(2)6-7-13-11(4,5)8-10(3)12/h10H,1,6-8,12H2,2-5H3
InChIKeyGFWWSUZIJCDTEC-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine 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-4-(3-methylbut-3-enoxy)pentan-2-amine?
The IUPAC name of 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine (CID 166763406) is 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine.
What is the SMILES notation for 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine?
The canonical SMILES for 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine is C=C(C)CCOC(C)(C)CC(C)N.
What is the InChIKey of 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine?
The InChIKey is GFWWSUZIJCDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)6-7-13-11(4,5)8-10(3)12/h10H,1,6-8,12H2,2-5H3.
What are the key properties of 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine?
4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbut-3-enoxy)pentan-2-amine is sourced from PubChem (CID 166763406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).