3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine

C23H48N2O — CID 163258165

IUPAC3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)N1CCC(C)(C(C)C)C1.CCC(C)C1(OC)CCN(C(C)C)C1
InChIInChI=1S/C12H25NO.C11H23N/c1-6-11(4)12(14-5)7-8-13(9-12)10(2)3;1-9(2)11(5)6-7-12(8-11)10(3)4/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3
InChIKeyXMTQVPJFVOWGIK-UHFFFAOYSA-N
MW368.65 g/mol
LogP5.29
Rot. Bonds6

About 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine

3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine (PubChem CID 163258165) has the molecular formula C23H48N2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine
PubChem CID163258165
Molecular FormulaC23H48N2O
Molecular Weight368.65 g/mol
Exact Mass368.38
IUPAC Name3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)N1CCC(C)(C(C)C)C1.CCC(C)C1(OC)CCN(C(C)C)C1
InChIInChI=1S/C12H25NO.C11H23N/c1-6-11(4)12(14-5)7-8-13(9-12)10(2)3;1-9(2)11(5)6-7-12(8-11)10(3)4/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3
InChIKeyXMTQVPJFVOWGIK-UHFFFAOYSA-N
XLogP5.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 134242781
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
CID 163257812
ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine
CID 163258834
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82713423
3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
1,4-dimethyl-4-propan-2-ylpiperidine;ethane
CID 142456453
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine (CID 163258165) is 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine is CC(C)N1CCC(C)(C(C)C)C1.CCC(C)C1(OC)CCN(C(C)C)C1.
What is the InChIKey of 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine?
The InChIKey is XMTQVPJFVOWGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C11H23N/c1-6-11(4)12(14-5)7-8-13(9-12)10(2)3;1-9(2)11(5)6-7-12(8-11)10(3)4/h10-11H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3.
What are the key properties of 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine?
3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 368.65 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-methoxy-1-propan-2-ylpyrrolidine;3-methyl-1,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 163258165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).