tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate

C15H25N3O2 — CID 151996574

IUPACtert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate
SMILESCCNc1cc(C(C)NC(=O)OC(C)(C)C)cc(C)n1
InChIInChI=1S/C15H25N3O2/c1-7-16-13-9-12(8-10(2)17-13)11(3)18-14(19)20-15(4,5)6/h8-9,11H,7H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyUFUOANUNTKIKED-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate

tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate (PubChem CID 151996574) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate
PubChem CID151996574
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate
SMILESCCNc1cc(C(C)NC(=O)OC(C)(C)C)cc(C)n1
InChIInChI=1S/C15H25N3O2/c1-7-16-13-9-12(8-10(2)17-13)11(3)18-14(19)20-15(4,5)6/h8-9,11H,7H2,1-6H3,(H,16,17)(H,18,19)
InChIKeyUFUOANUNTKIKED-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
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tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
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tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]carbamate
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tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
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tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
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CID 143478940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate (CID 151996574) is tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate is CCNc1cc(C(C)NC(=O)OC(C)(C)C)cc(C)n1.
What is the InChIKey of tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate?
The InChIKey is UFUOANUNTKIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-7-16-13-9-12(8-10(2)17-13)11(3)18-14(19)20-15(4,5)6/h8-9,11H,7H2,1-6H3,(H,16,17)(H,18,19).
What are the key properties of tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate?
tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(ethylamino)-6-methyl-4-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 151996574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).