N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C12H23NO2 — CID 114465942

IUPACN-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1CCC(C)O1
InChIInChI=1S/C12H23NO2/c1-10(2)9-14-7-6-13-8-12-5-4-11(3)15-12/h11-13H,1,4-9H2,2-3H3
InChIKeyXWIWPXWTUBDYSA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 114465942) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID114465942
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1CCC(C)O1
InChIInChI=1S/C12H23NO2/c1-10(2)9-14-7-6-13-8-12-5-4-11(3)15-12/h11-13H,1,4-9H2,2-3H3
InChIKeyXWIWPXWTUBDYSA-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-methylprop-2-enoxymethyl)pyrrolidine
CID 39063097
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
CID 55070191
2-methyl-N-(oxolan-2-ylmethyl)prop-2-en-1-amine
CID 60683635
2-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 62332851
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
N-ethyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2-methylprop-2-en-1-amine
CID 62418406
N-ethyl-2-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418407
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419587
N-(oxolan-2-ylmethyl)-2-prop-2-enoxyethanamine
CID 62571446
1-(oxolan-2-yl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 62572523
N-(oxolan-2-ylmethyl)-2-prop-2-enoxypropan-1-amine
CID 62573142
2-methylidene-N-(oxolan-2-ylmethyl)butan-1-amine
CID 66046645

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 114465942) is N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCC1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is XWIWPXWTUBDYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)9-14-7-6-13-8-12-5-4-11(3)15-12/h11-13H,1,4-9H2,2-3H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 114465942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).