2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine

C12H23NO2 — CID 106459238

IUPAC2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
SMILESCCCOCCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO2/c1-2-7-14-8-5-12(13)6-9-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyIUSIRQFHMFMSNR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds6

About 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine

2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine (PubChem CID 106459238) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
PubChem CID106459238
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
SMILESCCCOCCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO2/c1-2-7-14-8-5-12(13)6-9-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyIUSIRQFHMFMSNR-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 104510321
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
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-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
CID 104510293
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine (CID 106459238) is 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine is CCCOCCC1(N)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine?
The InChIKey is IUSIRQFHMFMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-7-14-8-5-12(13)6-9-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine?
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine is sourced from PubChem (CID 106459238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).