tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate

C18H36N2O3 — CID 103695449

IUPACtert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
SMILESCC(C)CC(CO)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)10-15(12-21)20-16-9-7-6-8-14(16)11-19-17(22)23-18(3,4)5/h13-16,20-21H,6-12H2,1-5H3,(H,19,22)
InChIKeyAHNUPYHHPZFZON-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.07
Rot. Bonds7

About tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate (PubChem CID 103695449) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
PubChem CID103695449
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
SMILESCC(C)CC(CO)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-13(2)10-15(12-21)20-16-9-7-6-8-14(16)11-19-17(22)23-18(3,4)5/h13-16,20-21H,6-12H2,1-5H3,(H,19,22)
InChIKeyAHNUPYHHPZFZON-UHFFFAOYSA-N
XLogP3.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 104867074
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
CID 107251414
tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
CID 66091560
tert-butyl N-[[2-[(2-ethyl-4-hydroxybutyl)amino]cyclopentyl]methyl]carbamate
CID 103747891
tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate (CID 103695449) is tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate is CC(C)CC(CO)NC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate?
The InChIKey is AHNUPYHHPZFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-13(2)10-15(12-21)20-16-9-7-6-8-14(16)11-19-17(22)23-18(3,4)5/h13-16,20-21H,6-12H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).