tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate

C16H27N3O2 — CID 114707734

IUPACtert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
SMILESCC1CCC(n2cncc2C(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-11-6-7-13(8-11)19-10-17-9-14(19)12(2)18-15(20)21-16(3,4)5/h9-13H,6-8H2,1-5H3,(H,18,20)
InChIKeyPKMQOKLPWSRYDF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 114707734) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
PubChem CID114707734
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
SMILESCC1CCC(n2cncc2C(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H27N3O2/c1-11-6-7-13(8-11)19-10-17-9-14(19)12(2)18-15(20)21-16(3,4)5/h9-13H,6-8H2,1-5H3,(H,18,20)
InChIKeyPKMQOKLPWSRYDF-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
tert-butyl N-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
tert-butyl N-[1-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]ethyl]carbamate
CID 114707474
tert-butyl N-[(1R)-1-[3-(1-cyclopropylethyl)imidazol-4-yl]ethyl]carbamate
CID 114986210
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
tert-butyl N-[(1S)-1-[3-(cyclopentylmethyl)imidazol-4-yl]ethyl]carbamate
CID 114986095
tert-butyl N-[1-[3-(1-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114706348
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate (CID 114707734) is tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate is CC1CCC(n2cncc2C(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is PKMQOKLPWSRYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-6-7-13(8-11)19-10-17-9-14(19)12(2)18-15(20)21-16(3,4)5/h9-13H,6-8H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114707734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).