1-butyl-2-methyl-2-propylpyrrolidine;ethane

C14H31N — CID 170624322

IUPAC1-butyl-2-methyl-2-propylpyrrolidine;ethane
SMILESCC.CCCCN1CCCC1(C)CCC
InChIInChI=1S/C12H25N.C2H6/c1-4-6-10-13-11-7-9-12(13,3)8-5-2;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyRFVCMKLJRPSVSS-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.47
Rot. Bonds5

About 1-butyl-2-methyl-2-propylpyrrolidine;ethane

1-butyl-2-methyl-2-propylpyrrolidine;ethane (PubChem CID 170624322) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 1-butyl-2-methyl-2-propylpyrrolidine;ethane.

Molecular Properties

Compound Name1-butyl-2-methyl-2-propylpyrrolidine;ethane
PubChem CID170624322
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name1-butyl-2-methyl-2-propylpyrrolidine;ethane
SMILESCC.CCCCN1CCCC1(C)CCC
InChIInChI=1S/C12H25N.C2H6/c1-4-6-10-13-11-7-9-12(13,3)8-5-2;1-2/h4-11H2,1-3H3;1-2H3
InChIKeyRFVCMKLJRPSVSS-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1,2,2,5,5-pentamethyl-
CID 80992
Pyrrolidine, 1-ethyl-2,2,5,5-tetramethyl-
CID 3048269
Pyrrolidine, 1-propyl-2,2,5,5-tetramethyl-
CID 3048270
2,2-Dipropylpyrrolidine
CID 13332418
1,2,2-Trimethyl-pyrrolidine
CID 264792
N-(2-methylcyclohexyl)pyrrolidine
CID 12218077
1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1-Methyl-3-propylpyrrolidine
CID 18722953
Tetramethylpyrrolidine
CID 22033887
(2R)-2-cyclohexyl-1-methylpyrrolidine
CID 57617591
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
1-(2-Methylhexyl)pyrrolidine
CID 72457033

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-2-propylpyrrolidine;ethane?
The IUPAC name of 1-butyl-2-methyl-2-propylpyrrolidine;ethane (CID 170624322) is 1-butyl-2-methyl-2-propylpyrrolidine;ethane.
What is the SMILES notation for 1-butyl-2-methyl-2-propylpyrrolidine;ethane?
The canonical SMILES for 1-butyl-2-methyl-2-propylpyrrolidine;ethane is CC.CCCCN1CCCC1(C)CCC.
What is the InChIKey of 1-butyl-2-methyl-2-propylpyrrolidine;ethane?
The InChIKey is RFVCMKLJRPSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C2H6/c1-4-6-10-13-11-7-9-12(13,3)8-5-2;1-2/h4-11H2,1-3H3;1-2H3.
What are the key properties of 1-butyl-2-methyl-2-propylpyrrolidine;ethane?
1-butyl-2-methyl-2-propylpyrrolidine;ethane has a molecular weight of 213.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-2-propylpyrrolidine;ethane is sourced from PubChem (CID 170624322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).