tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate

C18H32N2O2S — CID 107253757

IUPACtert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(C)sc1C
InChIInChI=1S/C18H32N2O2S/c1-8-9-15(11-19-17(21)22-18(5,6)7)20-13(3)16-10-12(2)23-14(16)4/h10,13,15,20H,8-9,11H2,1-7H3,(H,19,21)
InChIKeyCIBDPZAVLLAJSE-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.71
Rot. Bonds7

About tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate

tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate (PubChem CID 107253757) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
PubChem CID107253757
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(C)sc1C
InChIInChI=1S/C18H32N2O2S/c1-8-9-15(11-19-17(21)22-18(5,6)7)20-13(3)16-10-12(2)23-14(16)4/h10,13,15,20H,8-9,11H2,1-7H3,(H,19,21)
InChIKeyCIBDPZAVLLAJSE-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[(E)-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]but-2-enyl]carbamate
CID 107253131
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl N-[2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-methylbutyl]carbamate
CID 107254353
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(1-pyridin-3-ylethylamino)pentyl]carbamate
CID 107253837
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253580
tert-butyl N-[2-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-4-methylpentyl]carbamate
CID 114082811
2-methyl-5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-ylamino]methyl]-1H-pyrrole-3-carboxylic acid
CID 114273623
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate (CID 107253757) is tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(C)c1cc(C)sc1C.
What is the InChIKey of tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate?
The InChIKey is CIBDPZAVLLAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-8-9-15(11-19-17(21)22-18(5,6)7)20-13(3)16-10-12(2)23-14(16)4/h10,13,15,20H,8-9,11H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate?
tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate has a molecular weight of 340.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate is sourced from PubChem (CID 107253757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).