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

C10H19NO — CID 105001034

IUPAC1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C10H19NO/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-10H,1,11H2,2-4H3
InChIKeyGOLKIVIWEQRSGI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds2

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

1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (PubChem CID 105001034) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
PubChem CID105001034
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1C(C)OC(C)C1C
InChIInChI=1S/C10H19NO/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-10H,1,11H2,2-4H3
InChIKeyGOLKIVIWEQRSGI-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (CID 105001034) is 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is C=CC(N)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The InChIKey is GOLKIVIWEQRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(11)10-6(2)7(3)12-8(10)4/h5-10H,1,11H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105001034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).