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

C18H36N2O2 — CID 107252504

IUPACtert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O2/c1-6-15(7-2)20-16(14-11-9-8-10-12-14)13-19-17(21)22-18(3,4)5/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyYYLKOJJFRLTTOM-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.24
Rot. Bonds7

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

tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate (PubChem CID 107252504) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
PubChem CID107252504
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O2/c1-6-15(7-2)20-16(14-11-9-8-10-12-14)13-19-17(21)22-18(3,4)5/h14-16,20H,6-13H2,1-5H3,(H,19,21)
InChIKeyYYLKOJJFRLTTOM-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate (CID 107252504) is tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate is CCC(CC)NC(CNC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate?
The InChIKey is YYLKOJJFRLTTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-15(7-2)20-16(14-11-9-8-10-12-14)13-19-17(21)22-18(3,4)5/h14-16,20H,6-13H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.24, 7 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-(pentan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 107252504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).