2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

C14H27NO2 — CID 114465916

IUPAC2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1CCOC(C)(CC)C1
InChIInChI=1S/C14H27NO2/c1-5-14(4)10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13,15H,2,5-11H2,1,3-4H3
InChIKeyUKLZNHLFJOVOJP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.52
Rot. Bonds7

About 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine

2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (PubChem CID 114465916) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
PubChem CID114465916
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine
SMILESC=C(C)COCCNC1CCOC(C)(CC)C1
InChIInChI=1S/C14H27NO2/c1-5-14(4)10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13,15H,2,5-11H2,1,3-4H3
InChIKeyUKLZNHLFJOVOJP-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.52
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-(2-ethoxyethyl)-2-ethyl-2-methyloxan-4-amine
CID 64097625
2-ethyl-2-methyl-N-[2-(3-methylbutoxy)ethyl]oxan-4-amine
CID 64100658
2-ethyl-N-[2-(2-methoxyethoxy)ethyl]-2-methyloxan-4-amine
CID 64100854
N-(2-butoxyethyl)-2-ethyl-2-methyloxan-4-amine
CID 64102643
N-(1-ethoxypropan-2-yl)-2-ethyl-2-methyloxan-4-amine
CID 64103494
2-ethyl-N-(1-methoxypropan-2-yl)-2-methyloxan-4-amine
CID 64104596
2-ethyl-N-(2-methoxyethyl)-2-methyloxan-4-amine
CID 64106519
2-ethyl-N-(1-methoxybutan-2-yl)-2-methyloxan-4-amine
CID 64410848
2-ethyl-N-(1-methoxypentan-2-yl)-2-methyloxan-4-amine
CID 64411932
2-ethyl-N-(1-methoxy-3-methylbutan-2-yl)-2-methyloxan-4-amine
CID 65047538
2-ethyl-2-methyl-N-(oxetan-3-yl)oxan-4-amine
CID 80117977
3-methyl-1-(2-methyloxan-2-yl)-N-propylbut-3-en-1-amine
CID 80684179

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine (CID 114465916) is 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is C=C(C)COCCNC1CCOC(C)(CC)C1.
What is the InChIKey of 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
The InChIKey is UKLZNHLFJOVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-14(4)10-13(6-8-17-14)15-7-9-16-11-12(2)3/h13,15H,2,5-11H2,1,3-4H3.
What are the key properties of 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine?
2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine has a molecular weight of 241.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 114465916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).