tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate

C16H27N3O2 — CID 104844767

IUPACtert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
SMILESCn1cccc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)18-14-9-5-8-13(14)17-11-12-7-6-10-19(12)4/h6-7,10,13-14,17H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyRHGGOZTXVSRXPD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate (PubChem CID 104844767) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
PubChem CID104844767
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
SMILESCn1cccc1CNC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)18-14-9-5-8-13(14)17-11-12-7-6-10-19(12)4/h6-7,10,13-14,17H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyRHGGOZTXVSRXPD-UHFFFAOYSA-N
XLogP2.56
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cycloheptyl]carbamate
CID 103082543
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[(3aR,4S,6aR)-2-[(1-methylpyrrol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 129398618
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]carbamate
CID 99834176
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate (CID 104844767) is tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate is Cn1cccc1CNC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is RHGGOZTXVSRXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)18-14-9-5-8-13(14)17-11-12-7-6-10-19(12)4/h6-7,10,13-14,17H,5,8-9,11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 2.56, 4 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-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 104844767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).