tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate

C17H34N2O3 — CID 103947742

IUPACtert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)COCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(2)12-21-10-9-18-15-8-6-7-14(15)11-19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyGDGZSPWZVVHERU-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.94
Rot. Bonds8

About tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103947742) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103947742
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)COCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-13(2)12-21-10-9-18-15-8-6-7-14(15)11-19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyGDGZSPWZVVHERU-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
CID 103947617
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-(3-methylsulfinylpropylamino)cyclopentyl]methyl]carbamate
CID 115972016
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
CID 103695707
tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
CID 66091560
tert-butyl N-[[2-[4-(2-methoxyethoxy)butylamino]cyclohexyl]methyl]carbamate
CID 113356854

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate (CID 103947742) is tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate is CC(C)COCCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is GDGZSPWZVVHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(2)12-21-10-9-18-15-8-6-7-14(15)11-19-16(20)22-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103947742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).