4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine

C11H24N2O — CID 103462274

IUPAC4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
SMILESCCC(C)(C)CNCC1COCC1N
InChIInChI=1S/C11H24N2O/c1-4-11(2,3)8-13-5-9-6-14-7-10(9)12/h9-10,13H,4-8,12H2,1-3H3
InChIKeyDVQVCHYPRUPVHP-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.99
Rot. Bonds5

About 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine

4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine (PubChem CID 103462274) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
PubChem CID103462274
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
SMILESCCC(C)(C)CNCC1COCC1N
InChIInChI=1S/C11H24N2O/c1-4-11(2,3)8-13-5-9-6-14-7-10(9)12/h9-10,13H,4-8,12H2,1-3H3
InChIKeyDVQVCHYPRUPVHP-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2,2-dimethylbutylamino)methyl]oxolan-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 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine (CID 103462274) is 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine is CCC(C)(C)CNCC1COCC1N.
What is the InChIKey of 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine?
The InChIKey is DVQVCHYPRUPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-11(2,3)8-13-5-9-6-14-7-10(9)12/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine?
4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine has a molecular weight of 200.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 103462274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).