(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine

C71H142F3N7 — CID 160720882

IUPAC(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC[C@@H](C(C)C)N1C(C)C.CC(C)[C@@H]1C2CC2CN1C(C)C.CC(C)[C@@H]1CC(C(F)(F)F)CN1C(C)C.CC(C)[C@@H]1CC2CCCC2N1C(C)C.CC(C)[C@@H]1CCN(C)N1C(C)C.CCCC1CC[C@@H](C(C)C)N1C(C)C
InChIInChI=1S/C13H25N.2C13H27N.C11H20F3N.C11H21N.C10H22N2/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4;1-9(2)12-7-8-13(10(3)4)14(12)11(5)6;1-6-7-12-8-9-13(10(2)3)14(12)11(4)5;1-7(2)10-5-9(11(12,13)14)6-15(10)8(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-8(2)10-6-7-11(5)12(10)9(3)4/h9-13H,5-8H2,1-4H3;9-13H,7-8H2,1-6H3;10-13H,6-9H2,1-5H3;7-10H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;8-10H,6-7H2,1-5H3/t11?,12?,13-;12-,13?;12?,13-;9?,10-;9?,10?,11-;10-/m000010/s1
InChIKeyRTBVYGPJJKGZKN-YXXCPZCFSA-N
MW1150.96 g/mol
LogP18.16
Rot. Bonds15

About (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine

(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine (PubChem CID 160720882) has the molecular formula C71H142F3N7 and a molecular weight of 1150.96 g/mol. Its IUPAC name is (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine
PubChem CID160720882
Molecular FormulaC71H142F3N7
Molecular Weight1150.96 g/mol
Exact Mass1150.13
IUPAC Name(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC[C@@H](C(C)C)N1C(C)C.CC(C)[C@@H]1C2CC2CN1C(C)C.CC(C)[C@@H]1CC(C(F)(F)F)CN1C(C)C.CC(C)[C@@H]1CC2CCCC2N1C(C)C.CC(C)[C@@H]1CCN(C)N1C(C)C.CCCC1CC[C@@H](C(C)C)N1C(C)C
InChIInChI=1S/C13H25N.2C13H27N.C11H20F3N.C11H21N.C10H22N2/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4;1-9(2)12-7-8-13(10(3)4)14(12)11(5)6;1-6-7-12-8-9-13(10(2)3)14(12)11(4)5;1-7(2)10-5-9(11(12,13)14)6-15(10)8(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-8(2)10-6-7-11(5)12(10)9(3)4/h9-13H,5-8H2,1-4H3;9-13H,7-8H2,1-6H3;10-13H,6-9H2,1-5H3;7-10H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;8-10H,6-7H2,1-5H3/t11?,12?,13-;12-,13?;12?,13-;9?,10-;9?,10?,11-;10-/m000010/s1
InChIKeyRTBVYGPJJKGZKN-YXXCPZCFSA-N
XLogP18.16
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.96
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine?
The IUPAC name of (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine (CID 160720882) is (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine is CC(C)C1CC[C@@H](C(C)C)N1C(C)C.CC(C)[C@@H]1C2CC2CN1C(C)C.CC(C)[C@@H]1CC(C(F)(F)F)CN1C(C)C.CC(C)[C@@H]1CC2CCCC2N1C(C)C.CC(C)[C@@H]1CCN(C)N1C(C)C.CCCC1CC[C@@H](C(C)C)N1C(C)C.
What is the InChIKey of (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine?
The InChIKey is RTBVYGPJJKGZKN-YXXCPZCFSA-N. The full InChI is InChI=1S/C13H25N.2C13H27N.C11H20F3N.C11H21N.C10H22N2/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4;1-9(2)12-7-8-13(10(3)4)14(12)11(5)6;1-6-7-12-8-9-13(10(2)3)14(12)11(4)5;1-7(2)10-5-9(11(12,13)14)6-15(10)8(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-8(2)10-6-7-11(5)12(10)9(3)4/h9-13H,5-8H2,1-4H3;9-13H,7-8H2,1-6H3;10-13H,6-9H2,1-5H3;7-10H,5-6H2,1-4H3;7-11H,5-6H2,1-4H3;8-10H,6-7H2,1-5H3/t11?,12?,13-;12-,13?;12?,13-;9?,10-;9?,10?,11-;10-/m000010/s1.
What are the key properties of (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine?
(2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine has a molecular weight of 1150.96 g/mol, XLogP of 18.16, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;(2S)-1,2-di(propan-2-yl)-5-propylpyrrolidine;(2S)-1,2-di(propan-2-yl)-4-(trifluoromethyl)pyrrolidine;(3S)-1-methyl-2,3-di(propan-2-yl)pyrazolidine;(2S)-1,2,5-tri(propan-2-yl)pyrrolidine is sourced from PubChem (CID 160720882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).