tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate

C17H34N2O3 — CID 107446215

IUPACtert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1CCOC1
InChIInChI=1S/C17H34N2O3/c1-13(14-8-11-21-12-14)18-9-10-19(16(2,3)4)15(20)22-17(5,6)7/h13-14,18H,8-12H2,1-7H3
InChIKeyOSHJKMOUOCCCMA-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate (PubChem CID 107446215) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
PubChem CID107446215
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
SMILESCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1CCOC1
InChIInChI=1S/C17H34N2O3/c1-13(14-8-11-21-12-14)18-9-10-19(16(2,3)4)15(20)22-17(5,6)7/h13-14,18H,8-12H2,1-7H3
InChIKeyOSHJKMOUOCCCMA-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
tert-butyl N-tert-butyl-N-[2-(but-3-yn-2-ylamino)ethyl]carbamate
CID 107446234
tert-butyl N-tert-butyl-N-[2-(4-hydroxypentan-2-ylamino)ethyl]carbamate
CID 107446039
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-tert-butyl-N-[2-(octan-4-ylamino)ethyl]carbamate
CID 106023012
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(4-methylhexan-2-ylamino)ethyl]carbamate
CID 107445776
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
tert-butyl N-tert-butyl-N-[2-[1-(2H-tetrazol-5-yl)ethylamino]ethyl]carbamate
CID 107445532
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate (CID 107446215) is tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate is CC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1CCOC1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate?
The InChIKey is OSHJKMOUOCCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-13(14-8-11-21-12-14)18-9-10-19(16(2,3)4)15(20)22-17(5,6)7/h13-14,18H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 107446215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).