tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate

C19H38N2O2 — CID 107251984

IUPACtert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NCCC1CCCCC1
InChIInChI=1S/C19H38N2O2/c1-6-19(7-2,15-20-17(22)23-18(3,4)5)21-14-13-16-11-9-8-10-12-16/h16,21H,6-15H2,1-5H3,(H,20,22)
InChIKeyNNPFCXRHHBOSDA-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds8

About tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate

tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate (PubChem CID 107251984) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
PubChem CID107251984
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate
SMILESCCC(CC)(CNC(=O)OC(C)(C)C)NCCC1CCCCC1
InChIInChI=1S/C19H38N2O2/c1-6-19(7-2,15-20-17(22)23-18(3,4)5)21-14-13-16-11-9-8-10-12-16/h16,21H,6-15H2,1-5H3,(H,20,22)
InChIKeyNNPFCXRHHBOSDA-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate (CID 107251984) is tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate is CCC(CC)(CNC(=O)OC(C)(C)C)NCCC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate?
The InChIKey is NNPFCXRHHBOSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-19(7-2,15-20-17(22)23-18(3,4)5)21-14-13-16-11-9-8-10-12-16/h16,21H,6-15H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate?
tert-butyl N-[2-(2-cyclohexylethylamino)-2-ethylbutyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.63, 8 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-cyclohexylethylamino)-2-ethylbutyl]carbamate is sourced from PubChem (CID 107251984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).