tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate

C16H32N2O3 — CID 103949542

IUPACtert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
SMILESCC[C@H](CO)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-5-13(11-19)18-14-9-7-6-8-12(14)10-17-15(20)21-16(2,3)4/h12-14,18-19H,5-11H2,1-4H3,(H,17,20)/t12?,13-,14?/m1/s1
InChIKeyURCKOHGWZDCGGY-ROKHWSDSSA-N
MW300.44 g/mol
LogP2.43
Rot. Bonds6

About tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate (PubChem CID 103949542) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
PubChem CID103949542
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
SMILESCC[C@H](CO)NC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-5-13(11-19)18-14-9-7-6-8-12(14)10-17-15(20)21-16(2,3)4/h12-14,18-19H,5-11H2,1-4H3,(H,17,20)/t12?,13-,14?/m1/s1
InChIKeyURCKOHGWZDCGGY-ROKHWSDSSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 104867074
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103695809
tert-butyl N-[[2-(1-cyclopentylethylamino)cyclopentyl]methyl]carbamate
CID 103695804
tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
CID 103695770
methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 115677358
tert-butyl N-[[2-[(2-ethyl-4-hydroxybutyl)amino]cyclopentyl]methyl]carbamate
CID 103747891
tert-butyl N-[[2-[1-(diethylamino)propan-2-ylamino]cyclopentyl]methyl]carbamate
CID 103695763
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate (CID 103949542) is tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate is CC[C@H](CO)NC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate?
The InChIKey is URCKOHGWZDCGGY-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-13(11-19)18-14-9-7-6-8-12(14)10-17-15(20)21-16(2,3)4/h12-14,18-19H,5-11H2,1-4H3,(H,17,20)/t12?,13-,14?/m1/s1.
What are the key properties of tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103949542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).