5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine

C11H24N2O — CID 166124462

IUPAC5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine
SMILESC=CC(C)(N)CCOC(C)(C)CCN
InChIInChI=1S/C11H24N2O/c1-5-11(4,13)7-9-14-10(2,3)6-8-12/h5H,1,6-9,12-13H2,2-4H3
InChIKeyQZOQKFQVJCKSSM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.42
Rot. Bonds7

About 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine

5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine (PubChem CID 166124462) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine
PubChem CID166124462
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine
SMILESC=CC(C)(N)CCOC(C)(C)CCN
InChIInChI=1S/C11H24N2O/c1-5-11(4,13)7-9-14-10(2,3)6-8-12/h5H,1,6-9,12-13H2,2-4H3
InChIKeyQZOQKFQVJCKSSM-UHFFFAOYSA-N
XLogP1.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-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 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine?
The IUPAC name of 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine (CID 166124462) is 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine.
What is the SMILES notation for 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine?
The canonical SMILES for 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine is C=CC(C)(N)CCOC(C)(C)CCN.
What is the InChIKey of 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine?
The InChIKey is QZOQKFQVJCKSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-11(4,13)7-9-14-10(2,3)6-8-12/h5H,1,6-9,12-13H2,2-4H3.
What are the key properties of 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine?
5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylbutan-2-yl)oxy-3-methylpent-1-en-3-amine is sourced from PubChem (CID 166124462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).