3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine

C11H22N2O — CID 130556182

IUPAC3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine
SMILESCC1(C)CCC1NCC1(N)CCOC1
InChIInChI=1S/C11H22N2O/c1-10(2)4-3-9(10)13-7-11(12)5-6-14-8-11/h9,13H,3-8,12H2,1-2H3
InChIKeyNEQYLWYBWRUTHR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.88
Rot. Bonds3

About 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine

3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine (PubChem CID 130556182) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine
PubChem CID130556182
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine
SMILESCC1(C)CCC1NCC1(N)CCOC1
InChIInChI=1S/C11H22N2O/c1-10(2)4-3-9(10)13-7-11(12)5-6-14-8-11/h9,13H,3-8,12H2,1-2H3
InChIKeyNEQYLWYBWRUTHR-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine (CID 130556182) is 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine is CC1(C)CCC1NCC1(N)CCOC1.
What is the InChIKey of 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine?
The InChIKey is NEQYLWYBWRUTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)4-3-9(10)13-7-11(12)5-6-14-8-11/h9,13H,3-8,12H2,1-2H3.
What are the key properties of 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine?
3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2-dimethylcyclobutyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 130556182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).