tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate

C13H26N2O2 — CID 83981043

IUPACtert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
SMILESCCCN1CCC(CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-7-15-8-6-11(10-15)9-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyIVJLRFYKGGFIJY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 83981043) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
PubChem CID83981043
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
SMILESCCCN1CCC(CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-7-15-8-6-11(10-15)9-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyIVJLRFYKGGFIJY-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]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 N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498
tert-butyl N-[[(3R)-1-[5-(ethylcarbamoylamino)pentyl]pyrrolidin-3-yl]methyl]carbamate
CID 54146573
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[[(3S)-1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyrrolidin-3-yl]methyl]carbamate
CID 54209894
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate (CID 83981043) is tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate is CCCN1CCC(CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is IVJLRFYKGGFIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-7-15-8-6-11(10-15)9-14-12(16)17-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 83981043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).