2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine

C11H21NO — CID 105005565

IUPAC2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-11H,1,12H2,2-5H3
InChIKeyLBRZDSAHUSTZPP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine

2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (PubChem CID 105005565) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
PubChem CID105005565
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-11H,1,12H2,2-5H3
InChIKeyLBRZDSAHUSTZPP-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156145
Cyclohexen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156793
3-Methylidene-1-(oxolan-3-yl)pentan-1-amine
CID 66037812
4-Methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044104
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177292
N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 79177294
2-Methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179041
4-Methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79179974
3-Methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 79186289
3-Methyl-1-(oxolan-2-yl)but-3-en-2-amine
CID 79190167
Cyclopenten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79757909
Cyclohepten-1-yl-(2-methyloxolan-3-yl)methanamine
CID 79758275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (CID 105005565) is 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is C=C(C)C(N)C1C(C)OC(C)C1C.
What is the InChIKey of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The InChIKey is LBRZDSAHUSTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6(2)11(12)10-7(3)8(4)13-9(10)5/h7-11H,1,12H2,2-5H3.
What are the key properties of 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105005565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).