tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate

C15H28N2O2 — CID 91798850

IUPACtert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h11-13H,4-10,16H2,1-3H3
InChIKeySYLHUGLRJHNVKK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate (PubChem CID 91798850) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
PubChem CID91798850
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h11-13H,4-10,16H2,1-3H3
InChIKeySYLHUGLRJHNVKK-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate (CID 91798850) is tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1CCC(N)CC1.
What is the InChIKey of tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate?
The InChIKey is SYLHUGLRJHNVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h11-13H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 91798850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).