tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate

C14H26F2N2O2 — CID 107251475

IUPACtert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C14H26F2N2O2/c1-9(12(15)16)18-11-7-5-6-10(11)8-17-13(19)20-14(2,3)4/h9-12,18H,5-8H2,1-4H3,(H,17,19)
InChIKeyFYAXWNJWQRPYCV-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 107251475) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
PubChem CID107251475
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C14H26F2N2O2/c1-9(12(15)16)18-11-7-5-6-10(11)8-17-13(19)20-14(2,3)4/h9-12,18H,5-8H2,1-4H3,(H,17,19)
InChIKeyFYAXWNJWQRPYCV-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
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methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
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tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
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tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
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tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate (CID 107251475) is tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)C(F)F.
What is the InChIKey of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is FYAXWNJWQRPYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-9(12(15)16)18-11-7-5-6-10(11)8-17-13(19)20-14(2,3)4/h9-12,18H,5-8H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 292.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).