tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate

C18H32N2O2S — CID 107245927

IUPACtert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)C(NCCN(C(=O)OC(C)(C)C)C(C)C)c1cccs1
InChIInChI=1S/C18H32N2O2S/c1-13(2)16(15-9-8-12-23-15)19-10-11-20(14(3)4)17(21)22-18(5,6)7/h8-9,12-14,16,19H,10-11H2,1-7H3
InChIKeyRCIZCJWFXFQOEZ-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.68
Rot. Bonds7

About tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245927) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
PubChem CID107245927
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)C(NCCN(C(=O)OC(C)(C)C)C(C)C)c1cccs1
InChIInChI=1S/C18H32N2O2S/c1-13(2)16(15-9-8-12-23-15)19-10-11-20(14(3)4)17(21)22-18(5,6)7/h8-9,12-14,16,19H,10-11H2,1-7H3
InChIKeyRCIZCJWFXFQOEZ-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]carbamate
CID 107444710
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
methyl 2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 113436506
tert-butyl N-[2-(furan-2-ylmethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245973
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
CID 103906226
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-propan-2-yl-N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]carbamate
CID 107245675
tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
CID 107441231
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate (CID 107245927) is tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate is CC(C)C(NCCN(C(=O)OC(C)(C)C)C(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is RCIZCJWFXFQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-13(2)16(15-9-8-12-23-15)19-10-11-20(14(3)4)17(21)22-18(5,6)7/h8-9,12-14,16,19H,10-11H2,1-7H3.
What are the key properties of tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 340.53 g/mol, XLogP of 4.68, 7 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-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).