1-butan-2-yl-2-methylpyrrolidine;ethane

C11H25N — CID 166157977

IUPAC1-butan-2-yl-2-methylpyrrolidine;ethane
SMILESCC.CCC(C)N1CCCC1C
InChIInChI=1S/C9H19N.C2H6/c1-4-8(2)10-7-5-6-9(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyLIMJEUQXMIJSJZ-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.30
Rot. Bonds2

About 1-butan-2-yl-2-methylpyrrolidine;ethane

1-butan-2-yl-2-methylpyrrolidine;ethane (PubChem CID 166157977) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-methylpyrrolidine;ethane.

Molecular Properties

Compound Name1-butan-2-yl-2-methylpyrrolidine;ethane
PubChem CID166157977
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name1-butan-2-yl-2-methylpyrrolidine;ethane
SMILESCC.CCC(C)N1CCCC1C
InChIInChI=1S/C9H19N.C2H6/c1-4-8(2)10-7-5-6-9(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyLIMJEUQXMIJSJZ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
1-butan-2-yl-2-fluoropyrrolidine
CID 167204489
1-butan-2-yl-3-ethyl-2-methylpiperidine
CID 123374996
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887273
(2S)-1-[(2R)-butan-2-yl]pyrrolidine-2-carbaldehyde
CID 89079851
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methylpyrrolidine;ethane?
The IUPAC name of 1-butan-2-yl-2-methylpyrrolidine;ethane (CID 166157977) is 1-butan-2-yl-2-methylpyrrolidine;ethane.
What is the SMILES notation for 1-butan-2-yl-2-methylpyrrolidine;ethane?
The canonical SMILES for 1-butan-2-yl-2-methylpyrrolidine;ethane is CC.CCC(C)N1CCCC1C.
What is the InChIKey of 1-butan-2-yl-2-methylpyrrolidine;ethane?
The InChIKey is LIMJEUQXMIJSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-4-8(2)10-7-5-6-9(10)3;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1-butan-2-yl-2-methylpyrrolidine;ethane?
1-butan-2-yl-2-methylpyrrolidine;ethane has a molecular weight of 171.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methylpyrrolidine;ethane is sourced from PubChem (CID 166157977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).