tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate

C15H27N5O2 — CID 103719905

IUPACtert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
SMILESCn1cnnc1CCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-12-6-5-11(9-12)16-8-7-13-19-17-10-20(13)4/h10-12,16H,5-9H2,1-4H3,(H,18,21)
InChIKeyVSAVFVIOALMXDZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.39
Rot. Bonds5

About tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate

tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate (PubChem CID 103719905) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
PubChem CID103719905
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Nametert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
SMILESCn1cnnc1CCNC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-12-6-5-11(9-12)16-8-7-13-19-17-10-20(13)4/h10-12,16H,5-9H2,1-4H3,(H,18,21)
InChIKeyVSAVFVIOALMXDZ-UHFFFAOYSA-N
XLogP1.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[2-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 103715474
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)ethylamino]cyclopentyl]carbamate
CID 103719839
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
tert-butyl N-[3-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 103719994
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
CID 169248595
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate (CID 103719905) is tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate is Cn1cnnc1CCNC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate?
The InChIKey is VSAVFVIOALMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)18-12-6-5-11(9-12)16-8-7-13-19-17-10-20(13)4/h10-12,16H,5-9H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103719905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).