tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate

C13H26N2O3 — CID 103081858

IUPACtert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
SMILESCOC1CCC(NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-5-6-11(9-10)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyLGJQPWHFZCPUPR-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate (PubChem CID 103081858) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
PubChem CID103081858
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
SMILESCOC1CCC(NCCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-5-6-11(9-10)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyLGJQPWHFZCPUPR-UHFFFAOYSA-N
XLogP1.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.67
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-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
CID 123710805
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enyl]carbamate
CID 99799409
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate (CID 103081858) is tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate is COC1CCC(NCCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate?
The InChIKey is LGJQPWHFZCPUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-5-6-11(9-10)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate is sourced from PubChem (CID 103081858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).