cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate

C15H23N3O2 — CID 138046850

IUPACcyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate
SMILESCc1nccnc1[C@@H](C)NC(=O)OCC1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-11-14(17-9-8-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyPRGPHUWLSGMYIJ-GFCCVEGCSA-N
MW277.37 g/mol
LogP3.15
Rot. Bonds4

About cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate

cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate (PubChem CID 138046850) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate
PubChem CID138046850
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namecyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate
SMILESCc1nccnc1[C@@H](C)NC(=O)OCC1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-11-14(17-9-8-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyPRGPHUWLSGMYIJ-GFCCVEGCSA-N
XLogP3.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612552
cycloheptylmethyl N-methylcarbamate
CID 57322822
N-[(2-methylcyclohexyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612549
2-(cyclohexylmethoxycarbonylamino)acetic acid
CID 66620693
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
[1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 154758472
cyclobutylmethyl N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)carbamate
CID 58938797
2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 102612429
1-O-(cyclopentylmethyl) 3-O-methyl 2-methylpropanedioate
CID 174748990
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate?
The IUPAC name of cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate (CID 138046850) is cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate.
What is the SMILES notation for cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate?
The canonical SMILES for cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate is Cc1nccnc1[C@@H](C)NC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate?
The InChIKey is PRGPHUWLSGMYIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-14(17-9-8-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h8-9,12-13H,3-7,10H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate?
cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 138046850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).