tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate

C14H28N2O4 — CID 107243618

IUPACtert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
SMILESCOC(CNC1CCCC1NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C14H28N2O4/c1-14(2,3)20-13(17)16-11-8-6-7-10(11)15-9-12(18-4)19-5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyQOUCUNBDDYXUJW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate

tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate (PubChem CID 107243618) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
PubChem CID107243618
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
SMILESCOC(CNC1CCCC1NC(=O)OC(C)(C)C)OC
InChIInChI=1S/C14H28N2O4/c1-14(2,3)20-13(17)16-11-8-6-7-10(11)15-9-12(18-4)19-5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyQOUCUNBDDYXUJW-UHFFFAOYSA-N
XLogP1.64
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2,2-dimethoxyethylamino)cycloheptyl]carbamate
CID 107244083
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
CID 80560818
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1R,2S)-2-[[(2R)-2-morpholin-4-ylpropyl]amino]cycloheptyl]carbamate
CID 124868723
tert-butyl N-[2-(dicyclopropylmethylamino)cyclopentyl]carbamate
CID 107243769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate (CID 107243618) is tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate is COC(CNC1CCCC1NC(=O)OC(C)(C)C)OC.
What is the InChIKey of tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate?
The InChIKey is QOUCUNBDDYXUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-14(2,3)20-13(17)16-11-8-6-7-10(11)15-9-12(18-4)19-5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate?
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 107243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).