tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate

C17H28N2O3 — CID 103695771

IUPACtert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1ccc(CNC2CCCC2CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H28N2O3/c1-12-8-9-14(21-12)11-18-15-7-5-6-13(15)10-19-16(20)22-17(2,3)4/h8-9,13,15,18H,5-7,10-11H2,1-4H3,(H,19,20)
InChIKeyKNNFUGDGKRVTSV-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.37
Rot. Bonds5

About tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 103695771) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID103695771
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCc1ccc(CNC2CCCC2CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C17H28N2O3/c1-12-8-9-14(21-12)11-18-15-7-5-6-13(15)10-19-16(20)22-17(2,3)4/h8-9,13,15,18H,5-7,10-11H2,1-4H3,(H,19,20)
InChIKeyKNNFUGDGKRVTSV-UHFFFAOYSA-N
XLogP3.37
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 102673272
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
CID 113242252
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
tert-butyl N-[[2-[(3-aminothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 107251439
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
tert-butyl N-[[2-[(3-bromothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103750525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate (CID 103695771) is tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate is Cc1ccc(CNC2CCCC2CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is KNNFUGDGKRVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-8-9-14(21-12)11-18-15-7-5-6-13(15)10-19-16(20)22-17(2,3)4/h8-9,13,15,18H,5-7,10-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).