N-benzyl-N,3-dimethylpyrazin-2-amine;ethane

C17H27N3 — CID 145242073

IUPACN-benzyl-N,3-dimethylpyrazin-2-amine;ethane
SMILESCC.CC.Cc1nccnc1N(C)Cc1ccccc1
InChIInChI=1S/C13H15N3.2C2H6/c1-11-13(15-9-8-14-11)16(2)10-12-6-4-3-5-7-12;2*1-2/h3-9H,10H2,1-2H3;2*1-2H3
InChIKeyKYLRTQCYMGOBDB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.47
Rot. Bonds3

About N-benzyl-N,3-dimethylpyrazin-2-amine;ethane

N-benzyl-N,3-dimethylpyrazin-2-amine;ethane (PubChem CID 145242073) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-benzyl-N,3-dimethylpyrazin-2-amine;ethane.

Molecular Properties

Compound NameN-benzyl-N,3-dimethylpyrazin-2-amine;ethane
PubChem CID145242073
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-benzyl-N,3-dimethylpyrazin-2-amine;ethane
SMILESCC.CC.Cc1nccnc1N(C)Cc1ccccc1
InChIInChI=1S/C13H15N3.2C2H6/c1-11-13(15-9-8-14-11)16(2)10-12-6-4-3-5-7-12;2*1-2/h3-9H,10H2,1-2H3;2*1-2H3
InChIKeyKYLRTQCYMGOBDB-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231
N-benzyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80917919
N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine
CID 164655114
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
N-benzyl-N-methyl-1-phenylimidazol-2-amine
CID 21495235
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethylpyrazin-2-amine;ethane?
The IUPAC name of N-benzyl-N,3-dimethylpyrazin-2-amine;ethane (CID 145242073) is N-benzyl-N,3-dimethylpyrazin-2-amine;ethane.
What is the SMILES notation for N-benzyl-N,3-dimethylpyrazin-2-amine;ethane?
The canonical SMILES for N-benzyl-N,3-dimethylpyrazin-2-amine;ethane is CC.CC.Cc1nccnc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethylpyrazin-2-amine;ethane?
The InChIKey is KYLRTQCYMGOBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.2C2H6/c1-11-13(15-9-8-14-11)16(2)10-12-6-4-3-5-7-12;2*1-2/h3-9H,10H2,1-2H3;2*1-2H3.
What are the key properties of N-benzyl-N,3-dimethylpyrazin-2-amine;ethane?
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane has a molecular weight of 273.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethylpyrazin-2-amine;ethane is sourced from PubChem (CID 145242073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).