tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate

C19H34N2O2 — CID 106636352

IUPACtert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(NCC1CCCN1C(=O)OC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C19H34N2O2/c1-13(17-11-14-7-8-15(17)10-14)20-12-16-6-5-9-21(16)18(22)23-19(2,3)4/h13-17,20H,5-12H2,1-4H3
InChIKeyGIFPXJTUUKCCNK-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 106636352) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID106636352
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(NCC1CCCN1C(=O)OC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C19H34N2O2/c1-13(17-11-14-7-8-15(17)10-14)20-12-16-6-5-9-21(16)18(22)23-19(2,3)4/h13-17,20H,5-12H2,1-4H3
InChIKeyGIFPXJTUUKCCNK-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]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

tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
tert-butyl 2-[(3-ethylpentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 106638482
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104891938
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836
tert-butyl 2-[[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104578652
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66563910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate (CID 106636352) is tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate is CC(NCC1CCCN1C(=O)OC(C)(C)C)C1CC2CCC1C2.
What is the InChIKey of tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is GIFPXJTUUKCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-13(17-11-14-7-8-15(17)10-14)20-12-16-6-5-9-21(16)18(22)23-19(2,3)4/h13-17,20H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 322.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 106636352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).