1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine

C15H26N2 — CID 123774253

IUPAC1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC1=C(N2CCC(CN3CCCC3)C2)CCCC1
InChIInChI=1S/C15H26N2/c1-2-6-15(7-3-1)17-11-8-14(13-17)12-16-9-4-5-10-16/h6,14H,1-5,7-13H2
InChIKeyPOONAVKYMLVETN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.86
Rot. Bonds3

About 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine

1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 123774253) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID123774253
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC1=C(N2CCC(CN3CCCC3)C2)CCCC1
InChIInChI=1S/C15H26N2/c1-2-6-15(7-3-1)17-11-8-14(13-17)12-16-9-4-5-10-16/h6,14H,1-5,7-13H2
InChIKeyPOONAVKYMLVETN-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
(2R)-2-methyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
CID 134863657
(2R,5R)-2,5-dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
CID 134933349
2,5-Dimethyl-1-(6-methylcyclohexen-1-yl)pyrrolidine
CID 134992679
(2S)-1-(cyclohexen-1-yl)-2-propan-2-ylpyrrolidine
CID 146163346
7-Pyrrolidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275033
7-Pyrrolidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989170
1-(4-Methylcyclohex-1-en-1-yl)pyrrolidine
CID 11171167
1-(3-Methylcyclohexen-1-yl)pyrrolidine
CID 12475968
1-(5-Methylcyclohexen-1-yl)pyrrolidine
CID 12952197
1-(4-Ethylcyclohexen-1-yl)pyrrolidine
CID 20441911

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 123774253) is 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine is C1=C(N2CCC(CN3CCCC3)C2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is POONAVKYMLVETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-15(7-3-1)17-11-8-14(13-17)12-16-9-4-5-10-16/h6,14H,1-5,7-13H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 234.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 123774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).