tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate

C17H33N3O2 — CID 103816674

IUPACtert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
SMILESCC(CNC1CCC(NC(=O)OC(C)(C)C)C1)N1CCCC1
InChIInChI=1S/C17H33N3O2/c1-13(20-9-5-6-10-20)12-18-14-7-8-15(11-14)19-16(21)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3,(H,19,21)
InChIKeyOBVGZUZQHWKORM-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.51
Rot. Bonds5

About tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate

tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate (PubChem CID 103816674) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
PubChem CID103816674
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
SMILESCC(CNC1CCC(NC(=O)OC(C)(C)C)C1)N1CCCC1
InChIInChI=1S/C17H33N3O2/c1-13(20-9-5-6-10-20)12-18-14-7-8-15(11-14)19-16(21)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3,(H,19,21)
InChIKeyOBVGZUZQHWKORM-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate 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 4-(2-pyrrolidin-1-ylpropylamino)azepane-1-carboxylate
CID 103982646
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(2-piperidin-1-ylethylamino)cyclohexyl]carbamate
CID 103720174
tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
CID 124868723
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate (CID 103816674) is tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate is CC(CNC1CCC(NC(=O)OC(C)(C)C)C1)N1CCCC1.
What is the InChIKey of tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate?
The InChIKey is OBVGZUZQHWKORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(20-9-5-6-10-20)12-18-14-7-8-15(11-14)19-16(21)22-17(2,3)4/h13-15,18H,5-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate is sourced from PubChem (CID 103816674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).