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

C16H32N2O4 — CID 103695754

IUPACtert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCOCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4/c1-16(2,3)22-15(19)18-12-13-6-5-7-14(13)17-8-9-21-11-10-20-4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyLJEQCFWJSHRFBN-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.93
Rot. Bonds9

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

tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103695754) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103695754
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Nametert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCOCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4/c1-16(2,3)22-15(19)18-12-13-6-5-7-14(13)17-8-9-21-11-10-20-4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyLJEQCFWJSHRFBN-UHFFFAOYSA-N
XLogP1.93
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-[4-(aminomethyl)-2-methylhexyl]carbamate
CID 60046203
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[4-(aminomethyl)-2-methylhexyl]carbamate
CID 60046204
2-[2-[2-[2-(propan-2-yloxycarbonylamino)ethoxy]ethoxy]ethoxy]ethyl N-[4-(aminomethyl)-2-methylhexyl]carbamate
CID 60046205
tert-butyl N-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]carbamate
CID 156531397
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(cyclopentylmethylamino)propanoate
CID 167319423
tert-butyl N-[[2-(1-ethoxypropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65832522
tert-butyl N-[[2-(2,3-dimethylbutylamino)cyclopentyl]methyl]carbamate
CID 65832737
tert-butyl N-[[2-(oxan-3-ylamino)cyclopentyl]methyl]carbamate
CID 65832930
tert-butyl N-[[2-(4-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65833136
tert-butyl N-[[2-(3-methylpentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65833326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate (CID 103695754) is tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate is COCCOCCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is LJEQCFWJSHRFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-16(2,3)22-15(19)18-12-13-6-5-7-14(13)17-8-9-21-11-10-20-4/h13-14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(2-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 1.93, 9 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-methoxyethoxy)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).