tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate

C18H36N2O2 — CID 107252527

IUPACtert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
SMILESCC(C)C(C)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O2/c1-13(2)14(3)20-16(15-10-8-7-9-11-15)12-19-17(21)22-18(4,5)6/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyAQZFXTDPMVPZCY-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate

tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate (PubChem CID 107252527) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
PubChem CID107252527
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
SMILESCC(C)C(C)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O2/c1-13(2)14(3)20-16(15-10-8-7-9-11-15)12-19-17(21)22-18(4,5)6/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyAQZFXTDPMVPZCY-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
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tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
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methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
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2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate (CID 107252527) is tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate is CC(C)C(C)NC(CNC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate?
The InChIKey is AQZFXTDPMVPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)14(3)20-16(15-10-8-7-9-11-15)12-19-17(21)22-18(4,5)6/h13-16,20H,7-12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 107252527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).