[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate

C15H29NO2 — CID 58004822

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyYWKIBXICTSFFCW-FRRDWIJNSA-N
MW255.40 g/mol
LogP3.97
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate (PubChem CID 58004822) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate
PubChem CID58004822
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyYWKIBXICTSFFCW-FRRDWIJNSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate (CID 58004822) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NC(C)(C)C.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate?
The InChIKey is YWKIBXICTSFFCW-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H29NO2/c1-10(2)12-8-7-11(3)9-13(12)18-14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 58004822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).