tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate

C14H29N3O2 — CID 79540794

IUPACtert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCCN
InChIInChI=1S/C14H29N3O2/c1-11(16-8-7-15)10-12-6-5-9-17(12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyKGNCTEKNPBCNMA-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate (PubChem CID 79540794) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
PubChem CID79540794
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCCN
InChIInChI=1S/C14H29N3O2/c1-11(16-8-7-15)10-12-6-5-9-17(12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3
InChIKeyKGNCTEKNPBCNMA-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[2-(2-aminoethylamino)propyl]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 2-[2-(4-aminobutylamino)propyl]piperidine-1-carboxylate
CID 103723964
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630
tert-butyl 2-[2-(2-ethoxyethylamino)propyl]pyrrolidine-1-carboxylate
CID 79537441
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-(1-cyclopropylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244471
tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
CID 104861282
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473
tert-butyl 2-[2-(2-prop-2-enylsulfanylethylamino)propyl]pyrrolidine-1-carboxylate
CID 104871450
tert-butyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103823099
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580
tert-butyl 2-[2-(pent-4-ynylamino)propyl]azepane-1-carboxylate
CID 106220705
tert-butyl 2-[2-(2-ethoxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 103823087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate (CID 79540794) is tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NCCN.
What is the InChIKey of tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is KGNCTEKNPBCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(16-8-7-15)10-12-6-5-9-17(12)13(18)19-14(2,3)4/h11-12,16H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 79540794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).