1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C15H31NO2 — CID 167387422

IUPAC1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CCC(COC(C)(C)C)(COC(C)(C)C)C1
InChIInChI=1S/C15H31NO2/c1-13(2,3)17-11-15(8-9-16(7)10-15)12-18-14(4,5)6/h8-12H2,1-7H3
InChIKeyZBBMJZYEJQITOS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.94
Rot. Bonds4

About 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 167387422) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID167387422
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CCC(COC(C)(C)C)(COC(C)(C)C)C1
InChIInChI=1S/C15H31NO2/c1-13(2,3)17-11-15(8-9-16(7)10-15)12-18-14(4,5)6/h8-12H2,1-7H3
InChIKeyZBBMJZYEJQITOS-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-fluoro-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364499
1-Methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 58142701
N,N-dimethyl-1-(3-methyloxolan-3-yl)methanamine
CID 68556461
3,3-dimethyl-N-(oxolan-3-ylmethyl)-N-propylbutan-1-amine
CID 70644604
1-[4-[(2-Methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
1-Ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 118477016
1-[3-(2-Methylbutan-2-yloxy)propyl]pyrrolidine
CID 129140712
3-[(2-Methylpropan-2-yl)oxymethyl]-1-propylpyrrolidine
CID 132226799
3,3-Dimethyl-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 137510243
(3S,4S)-3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364340
(3R,4R)-3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364348
(3R)-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 167387422) is 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CN1CCC(COC(C)(C)C)(COC(C)(C)C)C1.
What is the InChIKey of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is ZBBMJZYEJQITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2,3)17-11-15(8-9-16(7)10-15)12-18-14(4,5)6/h8-12H2,1-7H3.
What are the key properties of 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 167387422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).