2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine

C12H25NO2 — CID 115887779

IUPAC2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCOC(CNCC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRFBBOPYXFNLFAD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.67
Rot. Bonds5

About 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine

2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine (PubChem CID 115887779) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
PubChem CID115887779
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCOC(CNCC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRFBBOPYXFNLFAD-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine (CID 115887779) is 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine is COC(CNCC1CCOC1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine?
The InChIKey is RFBBOPYXFNLFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)11(14-4)8-13-7-10-5-6-15-9-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine?
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 115887779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).