3-tert-butyl-5-methoxy-1-methylpyrazolidine

C9H20N2O — CID 176832828

IUPAC3-tert-butyl-5-methoxy-1-methylpyrazolidine
SMILESCOC1CC(C(C)(C)C)NN1C
InChIInChI=1S/C9H20N2O/c1-9(2,3)7-6-8(12-5)11(4)10-7/h7-8,10H,6H2,1-5H3
InChIKeyWAZMACMKDHIFNC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.21
Rot. Bonds1

About 3-tert-butyl-5-methoxy-1-methylpyrazolidine

3-tert-butyl-5-methoxy-1-methylpyrazolidine (PubChem CID 176832828) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxy-1-methylpyrazolidine.

Molecular Properties

Compound Name3-tert-butyl-5-methoxy-1-methylpyrazolidine
PubChem CID176832828
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-tert-butyl-5-methoxy-1-methylpyrazolidine
SMILESCOC1CC(C(C)(C)C)NN1C
InChIInChI=1S/C9H20N2O/c1-9(2,3)7-6-8(12-5)11(4)10-7/h7-8,10H,6H2,1-5H3
InChIKeyWAZMACMKDHIFNC-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118287894
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CID 152969309
4-tert-butyl-3-methoxy-1-methylpiperidine
CID 58394887
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
CID 106261625
(2R)-2-methoxy-1-methylpiperazine
CID 174835228
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
5-tert-butylpyrazolidin-3-amine;hydrochloride
CID 170905663
(3aS,5S,6aS)-2,5-ditert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 161153492
3-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 154601200
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxy-1-methylpyrazolidine?
The IUPAC name of 3-tert-butyl-5-methoxy-1-methylpyrazolidine (CID 176832828) is 3-tert-butyl-5-methoxy-1-methylpyrazolidine.
What is the SMILES notation for 3-tert-butyl-5-methoxy-1-methylpyrazolidine?
The canonical SMILES for 3-tert-butyl-5-methoxy-1-methylpyrazolidine is COC1CC(C(C)(C)C)NN1C.
What is the InChIKey of 3-tert-butyl-5-methoxy-1-methylpyrazolidine?
The InChIKey is WAZMACMKDHIFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)7-6-8(12-5)11(4)10-7/h7-8,10H,6H2,1-5H3.
What are the key properties of 3-tert-butyl-5-methoxy-1-methylpyrazolidine?
3-tert-butyl-5-methoxy-1-methylpyrazolidine has a molecular weight of 172.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methoxy-1-methylpyrazolidine is sourced from PubChem (CID 176832828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).