ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine

C11H25NO — CID 163258834

IUPACethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine
SMILESCC.CCC1(OC)CN(C(C)C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-5-9(11-4)6-10(7-9)8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyFYUNLWXMGHTQDR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds3

About ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine

ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine (PubChem CID 163258834) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine.

Molecular Properties

Compound Nameethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine
PubChem CID163258834
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine
SMILESCC.CCC1(OC)CN(C(C)C)C1
InChIInChI=1S/C9H19NO.C2H6/c1-5-9(11-4)6-10(7-9)8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyFYUNLWXMGHTQDR-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4,4-difluoro-1-methoxycyclohexane
CID 121407300
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
ethane;(3-fluoro-1-propan-2-ylazetidin-3-yl)methanol
CID 168906490
1-ethyl-1-methoxycyclohexane
CID 21039859
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 105468786
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine
CID 112716671
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
3-ethyl-3-methoxyazetidine;hydrochloride
CID 66592095

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine?
The IUPAC name of ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine (CID 163258834) is ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine.
What is the SMILES notation for ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine?
The canonical SMILES for ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine is CC.CCC1(OC)CN(C(C)C)C1.
What is the InChIKey of ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine?
The InChIKey is FYUNLWXMGHTQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-5-9(11-4)6-10(7-9)8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine?
ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine is sourced from PubChem (CID 163258834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).