tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate

C16H28N4O3 — CID 70988890

IUPACtert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate
SMILESCCN(CCNC(=O)OC(C)(C)C)CCOc1cccnc1N
InChIInChI=1S/C16H28N4O3/c1-5-20(10-9-19-15(21)23-16(2,3)4)11-12-22-13-7-6-8-18-14(13)17/h6-8H,5,9-12H2,1-4H3,(H2,17,18)(H,19,21)
InChIKeyFWPUDVLFQAWJDQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.89
Rot. Bonds8

About tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate

tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate (PubChem CID 70988890) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate
PubChem CID70988890
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate
SMILESCCN(CCNC(=O)OC(C)(C)C)CCOc1cccnc1N
InChIInChI=1S/C16H28N4O3/c1-5-20(10-9-19-15(21)23-16(2,3)4)11-12-22-13-7-6-8-18-14(13)17/h6-8H,5,9-12H2,1-4H3,(H2,17,18)(H,19,21)
InChIKeyFWPUDVLFQAWJDQ-UHFFFAOYSA-N
XLogP1.89
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]carbamate;N'-ethyl-N'-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]ethane-1,2-diamine
CID 161032765
tert-butyl N-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethyl]carbamate
CID 71875972
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-[(2-methylpropan-2-yl)oxymethoxy]pyridin-2-amine
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tert-butyl N-[2-[ethyl(4-hydroxybutyl)amino]ethyl]carbamate
CID 177165259
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
3-(3,3-dimethylbutoxy)pyridin-2-amine
CID 61481527
tert-butyl N-[2-[2-oxo-2-[(3-propoxy-2-pyridinyl)amino]ethyl]sulfanylethyl]carbamate
CID 84561111
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate (CID 70988890) is tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate is CCN(CCNC(=O)OC(C)(C)C)CCOc1cccnc1N.
What is the InChIKey of tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate?
The InChIKey is FWPUDVLFQAWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-5-20(10-9-19-15(21)23-16(2,3)4)11-12-22-13-7-6-8-18-14(13)17/h6-8H,5,9-12H2,1-4H3,(H2,17,18)(H,19,21).
What are the key properties of tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate?
tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate has a molecular weight of 324.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(2-amino-3-pyridinyl)oxy]ethyl-ethylamino]ethyl]carbamate is sourced from PubChem (CID 70988890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).