3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine

C13H25N3 — CID 104870181

IUPAC3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
SMILESC1CN[C@H](CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C13H25N3/c1-2-8-16(7-1)13-5-9-15(11-13)10-12-4-3-6-14-12/h12-14H,1-11H2/t12-,13?/m0/s1
InChIKeyAGRCTQDKRLDDEB-UEWDXFNNSA-N
MW223.36 g/mol
LogP0.91
Rot. Bonds3

About 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine

3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine (PubChem CID 104870181) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
PubChem CID104870181
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
SMILESC1CN[C@H](CN2CCC(N3CCCC3)C2)C1
InChIInChI=1S/C13H25N3/c1-2-8-16(7-1)13-5-9-15(11-13)10-12-4-3-6-14-12/h12-14H,1-11H2/t12-,13?/m0/s1
InChIKeyAGRCTQDKRLDDEB-UEWDXFNNSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
CID 117044513
4-piperidin-1-yl-1-(2-pyrrolidin-2-ylethyl)piperidine
CID 61366277
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
1-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 164658028
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-yl]methanamine
CID 130690026
3-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819669
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The IUPAC name of 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine (CID 104870181) is 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The canonical SMILES for 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine is C1CN[C@H](CN2CCC(N3CCCC3)C2)C1.
What is the InChIKey of 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
The InChIKey is AGRCTQDKRLDDEB-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-8-16(7-1)13-5-9-15(11-13)10-12-4-3-6-14-12/h12-14H,1-11H2/t12-,13?/m0/s1.
What are the key properties of 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine?
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 104870181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).