tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate

C14H23N3O2 — CID 114704068

IUPACtert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
SMILESCC(C1CC1)n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10(11-5-6-11)17-9-15-7-12(17)8-16-13(18)19-14(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyMNZGXXMLQQXZED-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate

tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate (PubChem CID 114704068) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
PubChem CID114704068
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
SMILESCC(C1CC1)n1cncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10(11-5-6-11)17-9-15-7-12(17)8-16-13(18)19-14(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyMNZGXXMLQQXZED-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[3-(1-cyclobutylethyl)imidazol-4-yl]methyl]carbamate
CID 114707891
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114707619
tert-butyl N-[[3-(4-methylhexan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114706289
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[[3-(thian-4-ylmethyl)imidazol-4-yl]methyl]carbamate
CID 114707406
tert-butyl N-[[3-(2-methylsulfinylpropyl)imidazol-4-yl]methyl]carbamate
CID 114707568
tert-butyl N-[(1R)-1-[3-[1-(oxolan-3-yl)ethyl]imidazol-4-yl]propyl]carbamate
CID 104944062
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate (CID 114704068) is tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate is CC(C1CC1)n1cncc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate?
The InChIKey is MNZGXXMLQQXZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(11-5-6-11)17-9-15-7-12(17)8-16-13(18)19-14(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate?
tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate is sourced from PubChem (CID 114704068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).