tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate

C16H32N2O3 — CID 103920837

IUPACtert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CC(C)OC(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-18(15(19)21-16(4,5)6)9-8-17-14-10-12(2)20-13(3)11-14/h12-14,17H,7-11H2,1-6H3
InChIKeyPILKAUXIOVCDFI-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate (PubChem CID 103920837) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
PubChem CID103920837
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC1CC(C)OC(C)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-7-18(15(19)21-16(4,5)6)9-8-17-14-10-12(2)20-13(3)11-14/h12-14,17H,7-11H2,1-6H3
InChIKeyPILKAUXIOVCDFI-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-ethyl-N-[2-[(3-methylcyclohexyl)amino]ethyl]carbamate
CID 103698959
tert-butyl N-ethyl-N-[2-[(3,3,5-trimethylcyclohexyl)amino]ethyl]carbamate
CID 107245391
tert-butyl N-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)ethyl]-N-ethylcarbamate
CID 107245360
tert-butyl N-ethyl-N-[2-[(4-propylcycloheptyl)amino]ethyl]carbamate
CID 107245484
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-ethyl-N-[3-[(4-propylcyclohexyl)amino]propyl]carbamate
CID 107242772
tert-butyl N-[2-[(3-methylcyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245712
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate (CID 103920837) is tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate is CCN(CCNC1CC(C)OC(C)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate?
The InChIKey is PILKAUXIOVCDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-18(15(19)21-16(4,5)6)9-8-17-14-10-12(2)20-13(3)11-14/h12-14,17H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate has a molecular weight of 300.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,6-dimethyloxan-4-yl)amino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 103920837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).