tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate

C13H26N2O2 — CID 59201756

IUPACtert-butyl N-[4-(ethylamino)cyclohexyl]carbamate
SMILESCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-6-8-11(9-7-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyCENLFVKCFRNZIL-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate

tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate (PubChem CID 59201756) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(ethylamino)cyclohexyl]carbamate
PubChem CID59201756
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[4-(ethylamino)cyclohexyl]carbamate
SMILESCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-6-8-11(9-7-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyCENLFVKCFRNZIL-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate (CID 59201756) is tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate is CCNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate?
The InChIKey is CENLFVKCFRNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-10-6-8-11(9-7-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(ethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 59201756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).