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

C17H32N2O2 — CID 66872153

IUPACtert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-9-14(10-12-15)18-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyHRKOJZMZCVJXFY-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.74
Rot. Bonds3

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

tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate (PubChem CID 66872153) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate
PubChem CID66872153
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-9-14(10-12-15)18-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyHRKOJZMZCVJXFY-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.74
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-(cyclohexylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate (CID 66872153) is tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2CCCCC2)CC1.
What is the InChIKey of tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate?
The InChIKey is HRKOJZMZCVJXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-9-14(10-12-15)18-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(cyclohexylamino)cyclohexyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.74, 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-(cyclohexylamino)cyclohexyl]carbamate is sourced from PubChem (CID 66872153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).