4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine

C12H26N2O — CID 66236321

IUPAC4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine
SMILESCC(N(C)CC1COCC1N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(12(2,3)4)14(5)6-10-7-15-8-11(10)13/h9-11H,6-8,13H2,1-5H3
InChIKeyUDGYAXNJBKFNEA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds3

About 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine

4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine (PubChem CID 66236321) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine
PubChem CID66236321
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine
SMILESCC(N(C)CC1COCC1N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-9(12(2,3)4)14(5)6-10-7-15-8-11(10)13/h9-11H,6-8,13H2,1-5H3
InChIKeyUDGYAXNJBKFNEA-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4R)-4-(aminomethyl)-N,N-dimethyloxolan-3-amine
CID 130824085
rac-(3R,4R)-4-[(dimethylamino)methyl]oxolan-3-amine dihydrochloride
CID 154842546
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255855
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62255856
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256028
N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256694
N-[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256729
N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62256913
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62258534
3,3,3-trifluoro-N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 65530860
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236322
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66236524

Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine (CID 66236321) is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine is CC(N(C)CC1COCC1N)C(C)(C)C.
What is the InChIKey of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The InChIKey is UDGYAXNJBKFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(12(2,3)4)14(5)6-10-7-15-8-11(10)13/h9-11H,6-8,13H2,1-5H3.
What are the key properties of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine?
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).