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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Related Compounds

3-[[(2,2-dimethylcyclopropyl)amino]methyl]oxolan-3-amine
CID 64892228
3-[(cyclopentylamino)methyl]oxolan-3-amine
CID 64893450
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
3-[[(2-methoxycyclopentyl)amino]methyl]oxolan-3-amine
CID 64892424
N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 130614791
3-[[(4,4-dimethylthian-3-yl)amino]methyl]oxolan-3-ol
CID 106099929
3-[(3-ethylpentan-3-ylamino)methyl]oxolan-3-amine
CID 65041154
3-(trimethylsilylmethyl)oxolan-3-amine
CID 130515395
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
2-[(2,2-dimethylcyclobutyl)amino]acetamide
CID 130554309
3-[[cyclopropyl(ethyl)amino]methyl]oxolan-3-amine
CID 64893425
3-(2-cyclopentylethyl)oxolan-3-amine
CID 130479308

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).