(3S)-3-butyl-3-methylpyrrolidine;ethane;propane

C14H33N — CID 171834249

IUPAC(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
SMILESCC.CCC.CCCC[C@@]1(C)CCNC1
InChIInChI=1S/C9H19N.C3H8.C2H6/c1-3-4-5-9(2)6-7-10-8-9;1-3-2;1-2/h10H,3-8H2,1-2H3;3H2,1-2H3;1-2H3/t9-;;/m0../s1
InChIKeyNPGWAYLTUDRPQB-WWPIYYJJSA-N
MW215.42 g/mol
LogP4.62
Rot. Bonds3

About (3S)-3-butyl-3-methylpyrrolidine;ethane;propane

(3S)-3-butyl-3-methylpyrrolidine;ethane;propane (PubChem CID 171834249) has the molecular formula C14H33N and a molecular weight of 215.42 g/mol. Its IUPAC name is (3S)-3-butyl-3-methylpyrrolidine;ethane;propane.

Molecular Properties

Compound Name(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
PubChem CID171834249
Molecular FormulaC14H33N
Molecular Weight215.42 g/mol
Exact Mass215.26
IUPAC Name(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
SMILESCC.CCC.CCCC[C@@]1(C)CCNC1
InChIInChI=1S/C9H19N.C3H8.C2H6/c1-3-4-5-9(2)6-7-10-8-9;1-3-2;1-2/h10H,3-8H2,1-2H3;3H2,1-2H3;1-2H3/t9-;;/m0../s1
InChIKeyNPGWAYLTUDRPQB-WWPIYYJJSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
3-methyl-3-propylpyrrolidine
CID 22393542
3-butyl-3-methylazetidine;ethane
CID 145389820
3-butyl-3-fluoropyrrolidine
CID 112564219
N,N-dimethyl-2-(3-methylpyrrolidin-3-yl)ethanamine;ethane
CID 145166475
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
CID 63122896
4-butyl-4-methylpiperidine;1-phenylethanone
CID 144801922
1-methyl-1-pentylcyclopropane
CID 524644
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63142900

Frequently Asked Questions

What is the IUPAC name of (3S)-3-butyl-3-methylpyrrolidine;ethane;propane?
The IUPAC name of (3S)-3-butyl-3-methylpyrrolidine;ethane;propane (CID 171834249) is (3S)-3-butyl-3-methylpyrrolidine;ethane;propane.
What is the SMILES notation for (3S)-3-butyl-3-methylpyrrolidine;ethane;propane?
The canonical SMILES for (3S)-3-butyl-3-methylpyrrolidine;ethane;propane is CC.CCC.CCCC[C@@]1(C)CCNC1.
What is the InChIKey of (3S)-3-butyl-3-methylpyrrolidine;ethane;propane?
The InChIKey is NPGWAYLTUDRPQB-WWPIYYJJSA-N. The full InChI is InChI=1S/C9H19N.C3H8.C2H6/c1-3-4-5-9(2)6-7-10-8-9;1-3-2;1-2/h10H,3-8H2,1-2H3;3H2,1-2H3;1-2H3/t9-;;/m0../s1.
What are the key properties of (3S)-3-butyl-3-methylpyrrolidine;ethane;propane?
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane has a molecular weight of 215.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butyl-3-methylpyrrolidine;ethane;propane is sourced from PubChem (CID 171834249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).