tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate

C18H34N2O2 — CID 107243819

IUPACtert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCCC1CCCCC1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-5-13-9-6-7-10-14(13)19-15-11-8-12-16(15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyXOYOSFCWBGOGJI-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate (PubChem CID 107243819) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
PubChem CID107243819
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
SMILESCCC1CCCCC1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O2/c1-5-13-9-6-7-10-14(13)19-15-11-8-12-16(15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21)
InChIKeyXOYOSFCWBGOGJI-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
3-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]propanoic acid
CID 178190162
tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
CID 178190157

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate (CID 107243819) is tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate is CCC1CCCCC1NC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate?
The InChIKey is XOYOSFCWBGOGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-13-9-6-7-10-14(13)19-15-11-8-12-16(15)20-17(21)22-18(2,3)4/h13-16,19H,5-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 107243819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).