N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C13H25NO2 — CID 104586521

IUPACN-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-12(2)10-16-9-6-14-11-13(3)4-7-15-8-5-13/h14H,1,4-11H2,2-3H3
InChIKeyFXHAVRCLUVAJHQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.99
Rot. Bonds7

About N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 104586521) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID104586521
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCC1(C)CCOCC1
InChIInChI=1S/C13H25NO2/c1-12(2)10-16-9-6-14-11-13(3)4-7-15-8-5-13/h14H,1,4-11H2,2-3H3
InChIKeyFXHAVRCLUVAJHQ-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.99
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

N-[(4-ethyloxan-4-yl)methyl]-2-methoxyethanamine
CID 62905234
2-methoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 62906456
4-Methyl-3-(2-methylprop-2-enoxy)piperidine
CID 102954211
2-butoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586126
2-but-3-enoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586595
2-ethoxy-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 104586664
N-[(4-methyloxan-4-yl)methyl]-2-propoxyethanamine
CID 105893526
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114465874
2-Ethyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114466016
N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
CID 114466085
4-(aminomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
CID 114466426
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467141

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 104586521) is N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCC1(C)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is FXHAVRCLUVAJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)10-16-9-6-14-11-13(3)4-7-15-8-5-13/h14H,1,4-11H2,2-3H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 104586521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).