2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine

C13H23NO2 — CID 104510260

IUPAC2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
SMILESNC1(CC2CCOCC2)CCOC1C1CC1
InChIInChI=1S/C13H23NO2/c14-13(9-10-3-6-15-7-4-10)5-8-16-12(13)11-1-2-11/h10-12H,1-9,14H2
InChIKeyYQQQBVMRHKEHLB-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.70
Rot. Bonds3

About 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine

2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine (PubChem CID 104510260) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
PubChem CID104510260
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine
SMILESNC1(CC2CCOCC2)CCOC1C1CC1
InChIInChI=1S/C13H23NO2/c14-13(9-10-3-6-15-7-4-10)5-8-16-12(13)11-1-2-11/h10-12H,1-9,14H2
InChIKeyYQQQBVMRHKEHLB-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexylmethyl)-2-cyclopropyloxolan-3-amine
CID 104510320
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine (CID 104510260) is 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine is NC1(CC2CCOCC2)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine?
The InChIKey is YQQQBVMRHKEHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-13(9-10-3-6-15-7-4-10)5-8-16-12(13)11-1-2-11/h10-12H,1-9,14H2.
What are the key properties of 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine?
2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine has a molecular weight of 225.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(oxan-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 104510260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).