tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane

C16H29N3O2 — CID 163235694

IUPACtert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane
SMILESCC.Cc1cn(CCNC(=O)OC(C)(C)C)c(C2CC2)n1
InChIInChI=1S/C14H23N3O2.C2H6/c1-10-9-17(12(16-10)11-5-6-11)8-7-15-13(18)19-14(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,15,18);1-2H3
InChIKeyYTVUYWAJHFMXGC-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.62
Rot. Bonds4

About tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane

tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane (PubChem CID 163235694) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane
PubChem CID163235694
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane
SMILESCC.Cc1cn(CCNC(=O)OC(C)(C)C)c(C2CC2)n1
InChIInChI=1S/C14H23N3O2.C2H6/c1-10-9-17(12(16-10)11-5-6-11)8-7-15-13(18)19-14(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,15,18);1-2H3
InChIKeyYTVUYWAJHFMXGC-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89442949
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tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
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tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 144936831
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-[2-(2-chloro-4,5-dimethylimidazol-1-yl)ethyl]carbamate
CID 139555936
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane (CID 163235694) is tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane is CC.Cc1cn(CCNC(=O)OC(C)(C)C)c(C2CC2)n1.
What is the InChIKey of tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane?
The InChIKey is YTVUYWAJHFMXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6/c1-10-9-17(12(16-10)11-5-6-11)8-7-15-13(18)19-14(2,3)4;1-2/h9,11H,5-8H2,1-4H3,(H,15,18);1-2H3.
What are the key properties of tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane?
tert-butyl N-[2-(2-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane has a molecular weight of 295.43 g/mol, XLogP of 3.62, 4 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-cyclopropyl-4-methylimidazol-1-yl)ethyl]carbamate;ethane is sourced from PubChem (CID 163235694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).