N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine

C12H26N2O — CID 66184418

IUPACN-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine
SMILESCCN(C(C)CC(C)(C)OC)C1CNC1
InChIInChI=1S/C12H26N2O/c1-6-14(11-8-13-9-11)10(2)7-12(3,4)15-5/h10-11,13H,6-9H2,1-5H3
InChIKeyYNQWUBOCOCBKPX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds6

About N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine

N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine (PubChem CID 66184418) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine
PubChem CID66184418
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine
SMILESCCN(C(C)CC(C)(C)OC)C1CNC1
InChIInChI=1S/C12H26N2O/c1-6-14(11-8-13-9-11)10(2)7-12(3,4)15-5/h10-11,13H,6-9H2,1-5H3
InChIKeyYNQWUBOCOCBKPX-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine (CID 66184418) is N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine is CCN(C(C)CC(C)(C)OC)C1CNC1.
What is the InChIKey of N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine?
The InChIKey is YNQWUBOCOCBKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-14(11-8-13-9-11)10(2)7-12(3,4)15-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine?
N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine is sourced from PubChem (CID 66184418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).