1,2,5-tri(propan-2-yl)pyrrolidine

C13H27N — CID 58779096

IUPAC1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLMHBEZPSFHIPPA-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds3

About 1,2,5-tri(propan-2-yl)pyrrolidine

1,2,5-tri(propan-2-yl)pyrrolidine (PubChem CID 58779096) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,2,5-tri(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1,2,5-tri(propan-2-yl)pyrrolidine
PubChem CID58779096
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLMHBEZPSFHIPPA-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 167560206
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
1,2,5-tri(propan-2-yl)azepane
CID 176801550
(3S)-2,3,6-tri(propan-2-yl)-2-azabicyclo[3.1.0]hexane
CID 139299260
9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
CID 121459120
1-methyl-2-propan-2-ylazetidine
CID 23588958
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
CID 122206985
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
10-propan-2-yl-10-azabicyclo[4.3.1]decane
CID 58967881

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tri(propan-2-yl)pyrrolidine?
The IUPAC name of 1,2,5-tri(propan-2-yl)pyrrolidine (CID 58779096) is 1,2,5-tri(propan-2-yl)pyrrolidine.
What is the SMILES notation for 1,2,5-tri(propan-2-yl)pyrrolidine?
The canonical SMILES for 1,2,5-tri(propan-2-yl)pyrrolidine is CC(C)C1CCC(C(C)C)N1C(C)C.
What is the InChIKey of 1,2,5-tri(propan-2-yl)pyrrolidine?
The InChIKey is LMHBEZPSFHIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)12-7-8-13(10(3)4)14(12)11(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 1,2,5-tri(propan-2-yl)pyrrolidine?
1,2,5-tri(propan-2-yl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tri(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58779096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).