tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate

C17H32N2O2 — CID 107244337

IUPACtert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CCNC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-7-10-15(19)11-12-18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3
InChIKeyMIUMXPKLDKQIRS-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107244337) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID107244337
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CCNC1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-7-10-15(19)11-12-18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3
InChIKeyMIUMXPKLDKQIRS-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244434
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97173194
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244393
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[2-[(3-methoxy-3-methylbutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244579

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate (CID 107244337) is tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CCNC1CCCCC1.
What is the InChIKey of tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is MIUMXPKLDKQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-13-7-10-15(19)11-12-18-14-8-5-4-6-9-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107244337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).