N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline

C17H21N3 — CID 155590728

IUPACN-[(5-cyclohexylpyrazin-2-yl)methyl]aniline
SMILESc1ccc(NCc2cnc(C3CCCCC3)cn2)cc1
InChIInChI=1S/C17H21N3/c1-3-7-14(8-4-1)17-13-19-16(12-20-17)11-18-15-9-5-2-6-10-15/h2,5-6,9-10,12-14,18H,1,3-4,7-8,11H2
InChIKeyXMEAJPZDNUOKNL-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.14
Rot. Bonds4

About N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline

N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline (PubChem CID 155590728) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-cyclohexylpyrazin-2-yl)methyl]aniline
PubChem CID155590728
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(5-cyclohexylpyrazin-2-yl)methyl]aniline
SMILESc1ccc(NCc2cnc(C3CCCCC3)cn2)cc1
InChIInChI=1S/C17H21N3/c1-3-7-14(8-4-1)17-13-19-16(12-20-17)11-18-15-9-5-2-6-10-15/h2,5-6,9-10,12-14,18H,1,3-4,7-8,11H2
InChIKeyXMEAJPZDNUOKNL-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline?
The IUPAC name of N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline (CID 155590728) is N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline.
What is the SMILES notation for N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline?
The canonical SMILES for N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline is c1ccc(NCc2cnc(C3CCCCC3)cn2)cc1.
What is the InChIKey of N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline?
The InChIKey is XMEAJPZDNUOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-7-14(8-4-1)17-13-19-16(12-20-17)11-18-15-9-5-2-6-10-15/h2,5-6,9-10,12-14,18H,1,3-4,7-8,11H2.
What are the key properties of N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline?
N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline has a molecular weight of 267.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexylpyrazin-2-yl)methyl]aniline is sourced from PubChem (CID 155590728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).