tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate

C17H34N2O4 — CID 142949251

IUPACtert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate
SMILESCC1CN(CCOCCOCCNC(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C17H34N2O4/c1-14-12-19(13-15(14)2)7-9-22-11-10-21-8-6-18-16(20)23-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyWVSOGAKHRIYFHS-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.13
Rot. Bonds9

About tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 142949251) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate
PubChem CID142949251
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC Nametert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate
SMILESCC1CN(CCOCCOCCNC(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C17H34N2O4/c1-14-12-19(13-15(14)2)7-9-22-11-10-21-8-6-18-16(20)23-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyWVSOGAKHRIYFHS-UHFFFAOYSA-N
XLogP2.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3090880
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CID 15734699
tert-butyl N-[[1-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 18518220
tert-butyl N-[[(3S,4S)-1-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54019043
tert-butyl N-[4-[2-(2-methoxyethoxy)ethylamino]butyl]carbamate
CID 58279897
tert-butyl N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]carbamate
CID 59599619
trans-1-Methyl-3,4-bis(tert-butoxycarbonylaminomethyl)pyrrolidine
CID 69126773
tert-butyl N-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 88854204
tert-butyl N-[2-[2-[2-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 88854242
tert-butyl N-[2-[2-[2-[2-[2-(dihexylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 89899224
tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 122674451
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl N-(pyrrolidin-3-ylmethyl)carbamate
CID 129314518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate (CID 142949251) is tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate is CC1CN(CCOCCOCCNC(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is WVSOGAKHRIYFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-14-12-19(13-15(14)2)7-9-22-11-10-21-8-6-18-16(20)23-17(3,4)5/h14-15H,6-13H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 330.47 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 142949251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).