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

C18H34N2O2 — CID 103695804

IUPACtert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H34N2O2/c1-13(14-8-5-6-9-14)20-16-11-7-10-15(16)12-19-17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21)
InChIKeySFJNPOGKRGBSQZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.85
Rot. Bonds5

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

tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695804) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
PubChem CID103695804
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
SMILESCC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H34N2O2/c1-13(14-8-5-6-9-14)20-16-11-7-10-15(16)12-19-17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21)
InChIKeySFJNPOGKRGBSQZ-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate (CID 103695804) is tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate is CC(NC1CCCC1CNC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is SFJNPOGKRGBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(14-8-5-6-9-14)20-16-11-7-10-15(16)12-19-17(21)22-18(2,3)4/h13-16,20H,5-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.85, 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-cyclopentylethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).