tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate

C16H28N2O3 — CID 102613520

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCC1CCC=CO1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-14-9-6-8-13(14)17-11-12-7-4-5-10-20-12/h5,10,12-14,17H,4,6-9,11H2,1-3H3,(H,18,19)
InChIKeyJFXSIJFXYFPFMM-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.71
Rot. Bonds4

About tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate (PubChem CID 102613520) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
PubChem CID102613520
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1NCC1CCC=CO1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-14-9-6-8-13(14)17-11-12-7-4-5-10-20-12/h5,10,12-14,17H,4,6-9,11H2,1-3H3,(H,18,19)
InChIKeyJFXSIJFXYFPFMM-UHFFFAOYSA-N
XLogP2.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
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tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
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tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
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tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
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2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
CID 118458941
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
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tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate (CID 102613520) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1NCC1CCC=CO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate?
The InChIKey is JFXSIJFXYFPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)21-15(19)18-14-9-6-8-13(14)17-11-12-7-4-5-10-20-12/h5,10,12-14,17H,4,6-9,11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 2.71, 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-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 102613520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).