1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine

C12H24N2 — CID 122661427

IUPAC1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCN(C2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)3-4-11-5-6-14(9-11)12-7-13-8-12/h10-13H,3-9H2,1-2H3
InChIKeyXPLPNIUPRLJTRX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds4

About 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine

1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine (PubChem CID 122661427) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine
PubChem CID122661427
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCC1CCN(C2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10(2)3-4-11-5-6-14(9-11)12-7-13-8-12/h10-13H,3-9H2,1-2H3
InChIKeyXPLPNIUPRLJTRX-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-3-(methoxymethyl)pyrrolidine
CID 64599135
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
2-[1-(azetidin-3-yl)piperidin-4-yl]ethanol
CID 131171989
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
1-(azetidin-3-yl)pyrrolidin-3-ol
CID 55278856
3-methyl-5-(3-methylbutyl)piperidine
CID 106778430
3-(3-methylbutyl)piperidine
CID 53409753
1-(azetidin-3-yl)-3-ethylpiperidin-4-amine;hydrochloride
CID 130667934
[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
CID 117005906
1-(5-methylpiperidin-3-yl)-4-propylpiperidine
CID 115373476
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine?
The IUPAC name of 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine (CID 122661427) is 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine is CC(C)CCC1CCN(C2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine?
The InChIKey is XPLPNIUPRLJTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)3-4-11-5-6-14(9-11)12-7-13-8-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine?
1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 122661427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).