tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate

C18H36N2O3 — CID 107253596

IUPACtert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O3/c1-9-10-13(12-19-15(21)22-16(2,3)4)20-14-11-17(5,6)23-18(14,7)8/h13-14,20H,9-12H2,1-8H3,(H,19,21)
InChIKeyAMECGSOEGWBHHD-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.62
Rot. Bonds6

About tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate

tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate (PubChem CID 107253596) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
PubChem CID107253596
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O3/c1-9-10-13(12-19-15(21)22-16(2,3)4)20-14-11-17(5,6)23-18(14,7)8/h13-14,20H,9-12H2,1-8H3,(H,19,21)
InChIKeyAMECGSOEGWBHHD-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-[(2,4,4-trimethylcyclohexyl)amino]pentyl]carbamate
CID 107253767
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
CID 103905930
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate (CID 107253596) is tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate?
The InChIKey is AMECGSOEGWBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-9-10-13(12-19-15(21)22-16(2,3)4)20-14-11-17(5,6)23-18(14,7)8/h13-14,20H,9-12H2,1-8H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate?
tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pentyl]carbamate is sourced from PubChem (CID 107253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).