1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine

C13H26N2 — CID 15474178

IUPAC1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine
SMILESCC(CCN1CCCC1)CN1CCCC1
InChIInChI=1S/C13H26N2/c1-13(12-15-9-4-5-10-15)6-11-14-7-2-3-8-14/h13H,2-12H2,1H3
InChIKeyMVXNQDIHYYKDKD-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine

1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine (PubChem CID 15474178) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine
PubChem CID15474178
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine
SMILESCC(CCN1CCCC1)CN1CCCC1
InChIInChI=1S/C13H26N2/c1-13(12-15-9-4-5-10-15)6-11-14-7-2-3-8-14/h13H,2-12H2,1H3
InChIKeyMVXNQDIHYYKDKD-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine?
The IUPAC name of 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine (CID 15474178) is 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine.
What is the SMILES notation for 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine?
The canonical SMILES for 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine is CC(CCN1CCCC1)CN1CCCC1.
What is the InChIKey of 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine?
The InChIKey is MVXNQDIHYYKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(12-15-9-4-5-10-15)6-11-14-7-2-3-8-14/h13H,2-12H2,1H3.
What are the key properties of 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine?
1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrrolidin-1-ylbutyl)pyrrolidine is sourced from PubChem (CID 15474178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).