tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate

C16H24N4O2 — CID 107239010

IUPACtert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate
SMILESCn1cc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1C#N
InChIInChI=1S/C16H24N4O2/c1-16(2,3)22-15(21)19-13-6-12(7-13)18-9-11-5-14(8-17)20(4)10-11/h5,10,12-13,18H,6-7,9H2,1-4H3,(H,19,21)
InChIKeyPSSDJVZKTVHKQM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.04
Rot. Bonds4

About tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate (PubChem CID 107239010) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate
PubChem CID107239010
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nametert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate
SMILESCn1cc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1C#N
InChIInChI=1S/C16H24N4O2/c1-16(2,3)22-15(21)19-13-6-12(7-13)18-9-11-5-14(8-17)20(4)10-11/h5,10,12-13,18H,6-7,9H2,1-4H3,(H,19,21)
InChIKeyPSSDJVZKTVHKQM-UHFFFAOYSA-N
XLogP2.04
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[2-[(5-cyano-1-methylpyrrol-3-yl)methylamino]ethyl]-N-ethylcarbamate
CID 103527123
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate
CID 107238844

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate (CID 107239010) is tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate is Cn1cc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1C#N.
What is the InChIKey of tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is PSSDJVZKTVHKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)22-15(21)19-13-6-12(7-13)18-9-11-5-14(8-17)20(4)10-11/h5,10,12-13,18H,6-7,9H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107239010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).