N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine

C11H21NO2 — CID 12540068

IUPACN-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine
SMILESC=COCCNC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-13-8-6-12-10-5-7-14-11(2,3)9-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeySWINEVAYSFYQOI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds5

About N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine

N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine (PubChem CID 12540068) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine
PubChem CID12540068
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine
SMILESC=COCCNC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-13-8-6-12-10-5-7-14-11(2,3)9-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeySWINEVAYSFYQOI-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyloxan-4-amine
CID 45791211
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102729
2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine
CID 83033415
N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyloxan-4-amine
CID 105905856
2,2-dimethyl-N-(oxan-3-yl)oxan-4-amine
CID 64102507
2,2-dimethyl-N-propyloxan-4-amine
CID 64105827
2,2-dimethyl-N-propan-2-yloxan-4-amine
CID 64106908
6,6-dimethyl-N-propan-2-yloxan-3-amine
CID 168239447
N-hexyl-6,6-dimethyloxan-3-amine
CID 169875323
ethane;N-ethyl-2,2-dimethyloxan-4-amine
CID 177317228
2-[(2,2-Dimethyloxan-4-yl)amino]ethanol
CID 14407589
(4R)-N-ethyl-2,2-dimethyloxan-4-amine
CID 28065177

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine (CID 12540068) is N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine is C=COCCNC1CCOC(C)(C)C1.
What is the InChIKey of N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is SWINEVAYSFYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-13-8-6-12-10-5-7-14-11(2,3)9-10/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine?
N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 12540068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).