N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine

C12H25NO2 — CID 63098311

IUPACN-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
SMILESCCC(C)(C)OCCNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,3)15-10-7-13-11-5-8-14-9-6-11/h11,13H,4-10H2,1-3H3
InChIKeyVWDIYQZBLWIDNW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine

N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine (PubChem CID 63098311) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
PubChem CID63098311
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
SMILESCCC(C)(C)OCCNC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-4-12(2,3)15-10-7-13-11-5-8-14-9-6-11/h11,13H,4-10H2,1-3H3
InChIKeyVWDIYQZBLWIDNW-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylbutan-2-yloxy)ethyl]cyclobutanamine
CID 89142472
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-(2-ethoxyethyl)oxan-4-amine
CID 43608661
N-[3-(2-methylbutan-2-yloxy)propyl]cyclopentanamine
CID 62597444
N-[2-(2-ethoxyethoxy)ethyl]oxan-4-amine
CID 63099695
N-propyloxan-4-amine
CID 18348908
N-(2-pentoxyethyl)oxan-4-amine
CID 63099879
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(2-cyclopentyloxyethyl)oxan-4-amine
CID 63099341
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
N-(2-fluoroethyl)oxan-4-amine
CID 80694353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine (CID 63098311) is N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine is CCC(C)(C)OCCNC1CCOCC1.
What is the InChIKey of N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine?
The InChIKey is VWDIYQZBLWIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(2,3)15-10-7-13-11-5-8-14-9-6-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine?
N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine is sourced from PubChem (CID 63098311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).