tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate

C18H28N2O2 — CID 125450247

IUPACtert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
SMILESCc1ccc(N)cc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-12-8-9-14(19)11-16(12)13-6-5-7-15(10-13)20-17(21)22-18(2,3)4/h8-9,11,13,15H,5-7,10,19H2,1-4H3,(H,20,21)/t13-,15+/m0/s1
InChIKeyYHCJXXFGTJTMFD-DZGCQCFKSA-N
MW304.43 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate (PubChem CID 125450247) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
PubChem CID125450247
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
SMILESCc1ccc(N)cc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-12-8-9-14(19)11-16(12)13-6-5-7-15(10-13)20-17(21)22-18(2,3)4/h8-9,11,13,15H,5-7,10,19H2,1-4H3,(H,20,21)/t13-,15+/m0/s1
InChIKeyYHCJXXFGTJTMFD-DZGCQCFKSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[3-(3-chloro-4-methylanilino)cyclohexyl]carbamate
CID 103719979
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
tert-butyl N-[3-(7-carbamoyl-3-fluoro-2-methyl-1H-indol-4-yl)cyclohexyl]carbamate
CID 170781317
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate (CID 125450247) is tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate is Cc1ccc(N)cc1[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate?
The InChIKey is YHCJXXFGTJTMFD-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-8-9-14(19)11-16(12)13-6-5-7-15(10-13)20-17(21)22-18(2,3)4/h8-9,11,13,15H,5-7,10,19H2,1-4H3,(H,20,21)/t13-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate is sourced from PubChem (CID 125450247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).