2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine

C16H26N2 — CID 66805368

IUPAC2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine
SMILESCC(C)(C)CC1CCC(Cc2cnccn2)CC1
InChIInChI=1S/C16H26N2/c1-16(2,3)11-14-6-4-13(5-7-14)10-15-12-17-8-9-18-15/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyZVFCBZUABDOUDA-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.26
Rot. Bonds3

About 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine

2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine (PubChem CID 66805368) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine
PubChem CID66805368
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine
SMILESCC(C)(C)CC1CCC(Cc2cnccn2)CC1
InChIInChI=1S/C16H26N2/c1-16(2,3)11-14-6-4-13(5-7-14)10-15-12-17-8-9-18-15/h8-9,12-14H,4-7,10-11H2,1-3H3
InChIKeyZVFCBZUABDOUDA-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Cyclohexylmethyl)pyrazine
CID 16204532
Pyrazine, (2-methylpropyl)-
CID 34591
Pentylpyrazine
CID 80551
2,3-Dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-Methyl-6-(3-methylbutyl)pyrazine
CID 572730
2,5-Dimethyl-3-(3-methylbutyl)pyrazine
CID 519564
5-Sec-butyl-2,3-dimethylpyrazine, 98%
CID 520567
2,3-Dimethyl-5-(2-methylbutyl)pyrazine
CID 528106
Octylpyrazine
CID 528151
2-(3-Methylbutyl)pyrazine
CID 521012
2-Sec-butylpyrazine
CID 528053
2,5-Dimethyl-3-(2-methylbutyl)pyrazine
CID 578818

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine?
The IUPAC name of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine (CID 66805368) is 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine?
The canonical SMILES for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine is CC(C)(C)CC1CCC(Cc2cnccn2)CC1.
What is the InChIKey of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine?
The InChIKey is ZVFCBZUABDOUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)11-14-6-4-13(5-7-14)10-15-12-17-8-9-18-15/h8-9,12-14H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine?
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine has a molecular weight of 246.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyrazine is sourced from PubChem (CID 66805368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).