2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C12H23NO — CID 104986552

IUPAC2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)CC2CC2)C1C
InChIInChI=1S/C12H23NO/c1-7-8(2)14-9(3)12(7)11(13)6-10-4-5-10/h7-12H,4-6,13H2,1-3H3
InChIKeyQHRCPVQHDYOZRL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.17
Rot. Bonds3

About 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 104986552) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID104986552
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)CC2CC2)C1C
InChIInChI=1S/C12H23NO/c1-7-8(2)14-9(3)12(7)11(13)6-10-4-5-10/h7-12H,4-6,13H2,1-3H3
InChIKeyQHRCPVQHDYOZRL-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
(2-Cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139
4,4,4-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 104992909
5,5,5-Trifluoro-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105024270
5,5,5-Trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024352
1-(2-Ethyloxolan-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105729086
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
2-Cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112567062
5,5,5-Trifluoro-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
CID 113672094
2-(3,3-Difluorocyclohexyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 114225873
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(oxolan-3-yl)ethan-1-amine
CID 164659617

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 104986552) is 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)CC2CC2)C1C.
What is the InChIKey of 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is QHRCPVQHDYOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8(2)14-9(3)12(7)11(13)6-10-4-5-10/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 104986552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).