tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate

C19H36N2O2 — CID 107249105

IUPACtert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-15(17-8-6-5-7-9-17)20-12-10-16-11-13-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyMTXRGMRQWDBUJM-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate (PubChem CID 107249105) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
PubChem CID107249105
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
SMILESCC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-15(17-8-6-5-7-9-17)20-12-10-16-11-13-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyMTXRGMRQWDBUJM-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
CID 107249114
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 3-[2-(1-cyclopropylpropylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782522
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782879
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate (CID 107249105) is tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate is CC(NCCC1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1.
What is the InChIKey of tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate?
The InChIKey is MTXRGMRQWDBUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(17-8-6-5-7-9-17)20-12-10-16-11-13-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107249105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).