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

C15H29NO2 — CID 58534256

IUPAC[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H29NO2/c1-6-16(7-2)15(17)18-14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyIEVVHMTWFAUOKJ-MJBXVCDLSA-N
MW255.40 g/mol
LogP3.93
Rot. Bonds4

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

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate (PubChem CID 58534256) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
PubChem CID58534256
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H29NO2/c1-6-16(7-2)15(17)18-14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3/t12-,13+,14-/m0/s1
InChIKeyIEVVHMTWFAUOKJ-MJBXVCDLSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate?
The IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate (CID 58534256) is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate.
What is the SMILES notation for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate?
The canonical SMILES for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate is CCN(CC)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate?
The InChIKey is IEVVHMTWFAUOKJ-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-16(7-2)15(17)18-14-10-12(5)8-9-13(14)11(3)4/h11-14H,6-10H2,1-5H3/t12-,13+,14-/m0/s1.
What are the key properties of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate?
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate is sourced from PubChem (CID 58534256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).