tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate

C12H25N3O2 — CID 107245215

IUPACtert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
SMILESCN(CCNC1CCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15(4)8-7-14-10-5-6-13-9-10/h10,13-14H,5-9H2,1-4H3
InChIKeyXEYXZRTVUBBECK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.80
Rot. Bonds4

About tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate

tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate (PubChem CID 107245215) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
PubChem CID107245215
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
SMILESCN(CCNC1CCNC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15(4)8-7-14-10-5-6-13-9-10/h10,13-14H,5-9H2,1-4H3
InChIKeyXEYXZRTVUBBECK-UHFFFAOYSA-N
XLogP0.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445
tert-butyl N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate (CID 107245215) is tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate is CN(CCNC1CCNC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate?
The InChIKey is XEYXZRTVUBBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15(4)8-7-14-10-5-6-13-9-10/h10,13-14H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 107245215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).