tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate

C16H34N2O2 — CID 107245904

IUPACtert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCCC(NCCN(C(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H34N2O2/c1-9-14(12(2)3)17-10-11-18(13(4)5)15(19)20-16(6,7)8/h12-14,17H,9-11H2,1-8H3
InChIKeyHQRJXHRWBQEDIB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.66
Rot. Bonds7

About tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245904) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
PubChem CID107245904
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nametert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
SMILESCCC(NCCN(C(=O)OC(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H34N2O2/c1-9-14(12(2)3)17-10-11-18(13(4)5)15(19)20-16(6,7)8/h12-14,17H,9-11H2,1-8H3
InChIKeyHQRJXHRWBQEDIB-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]-N-propan-2-ylcarbamate
CID 107245945
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate (CID 107245904) is tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate is CCC(NCCN(C(=O)OC(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate?
The InChIKey is HQRJXHRWBQEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-9-14(12(2)3)17-10-11-18(13(4)5)15(19)20-16(6,7)8/h12-14,17H,9-11H2,1-8H3.
What are the key properties of tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate has a molecular weight of 286.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).