2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine

C13H25NO2 — CID 103017197

IUPAC2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
SMILESCOC(C)(C)CCC1(N)CCOC1C1CC1
InChIInChI=1S/C13H25NO2/c1-12(2,15-3)6-7-13(14)8-9-16-11(13)10-4-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyIESLZKZTZXIQQT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine

2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine (PubChem CID 103017197) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
PubChem CID103017197
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
SMILESCOC(C)(C)CCC1(N)CCOC1C1CC1
InChIInChI=1S/C13H25NO2/c1-12(2,15-3)6-7-13(14)8-9-16-11(13)10-4-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyIESLZKZTZXIQQT-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
CID 103034811
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 104510321
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
N-[[3-(3-methoxy-3-methylbutyl)-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 103037001
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine (CID 103017197) is 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine is COC(C)(C)CCC1(N)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine?
The InChIKey is IESLZKZTZXIQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,15-3)6-7-13(14)8-9-16-11(13)10-4-5-10/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine?
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine is sourced from PubChem (CID 103017197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).