2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine

C13H25NO — CID 143436134

IUPAC2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
SMILESC=CCC1(CCN)CCOC(C)(CC)C1
InChIInChI=1S/C13H25NO/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13/h4H,1,5-11,14H2,2-3H3
InChIKeyWLCKOHDUAGZXNB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine

2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine (PubChem CID 143436134) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
PubChem CID143436134
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
SMILESC=CCC1(CCN)CCOC(C)(CC)C1
InChIInChI=1S/C13H25NO/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13/h4H,1,5-11,14H2,2-3H3
InChIKeyWLCKOHDUAGZXNB-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
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

(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
CID 143436133
2-(9-Ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 167254398
6-Methoxy-2,2-bis(prop-2-enyl)hexan-1-amine
CID 170682423
1-(2-Methyloxan-2-yl)but-3-en-1-amine
CID 80683796
1-(2-Methyloxan-2-yl)pent-4-en-1-amine
CID 80684129
1-(2-Methyloxan-2-yl)hex-5-en-1-amine
CID 80684879
1-(2-Methyloxan-2-yl)prop-2-en-1-amine
CID 80685026
2-Methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640402
1-(2-Methyloxan-2-yl)oct-7-en-1-amine
CID 107009529
[3-(2-Methylprop-2-enyl)oxan-3-yl]methanamine
CID 130514940
(3-But-3-en-2-yloxan-3-yl)methanamine
CID 130514960

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine (CID 143436134) is 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine is C=CCC1(CCN)CCOC(C)(CC)C1.
What is the InChIKey of 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The InChIKey is WLCKOHDUAGZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13/h4H,1,5-11,14H2,2-3H3.
What are the key properties of 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine is sourced from PubChem (CID 143436134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).