tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate

C17H34N2O2 — CID 107251928

IUPACtert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
SMILESCCC(CC)CNC1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C17H34N2O2/c1-6-14(7-2)12-19-17(10-8-9-11-17)13-18-15(20)21-16(3,4)5/h14,19H,6-13H2,1-5H3,(H,18,20)
InChIKeyGNJZIQMMIIXFNR-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds7

About tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate (PubChem CID 107251928) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
PubChem CID107251928
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
SMILESCCC(CC)CNC1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C17H34N2O2/c1-6-14(7-2)12-19-17(10-8-9-11-17)13-18-15(20)21-16(3,4)5/h14,19H,6-13H2,1-5H3,(H,18,20)
InChIKeyGNJZIQMMIIXFNR-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025
tert-butyl N-[[1-(thiolan-3-ylmethylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
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tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
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2-[3-(2-ethylbutylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107143152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate (CID 107251928) is tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate is CCC(CC)CNC1(CNC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate?
The InChIKey is GNJZIQMMIIXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-14(7-2)12-19-17(10-8-9-11-17)13-18-15(20)21-16(3,4)5/h14,19H,6-13H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 107251928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).