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

C12H23NO — CID 105001033

IUPACN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-6-11(13-7-2)12-8(3)9(4)14-10(12)5/h6,8-13H,1,7H2,2-5H3
InChIKeyUXTVRBHCZUCEJE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds4

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

N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (PubChem CID 105001033) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
PubChem CID105001033
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(NCC)C1C(C)OC(C)C1C
InChIInChI=1S/C12H23NO/c1-6-11(13-7-2)12-8(3)9(4)14-10(12)5/h6,8-13H,1,7H2,2-5H3
InChIKeyUXTVRBHCZUCEJE-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
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 N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine (CID 105001033) is N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is C=CC(NCC)C1C(C)OC(C)C1C.
What is the InChIKey of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
The InChIKey is UXTVRBHCZUCEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-11(13-7-2)12-8(3)9(4)14-10(12)5/h6,8-13H,1,7H2,2-5H3.
What are the key properties of N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine?
N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).