N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine

C15H27N3 — CID 167229246

IUPACN-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine
SMILESCCC(C)(C)CC(C)(C)c1cnc(CNC)cn1
InChIInChI=1S/C15H27N3/c1-7-14(2,3)11-15(4,5)13-10-17-12(8-16-6)9-18-13/h9-10,16H,7-8,11H2,1-6H3
InChIKeyWLCTXPDYPAFTCG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.30
Rot. Bonds6

About N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine

N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine (PubChem CID 167229246) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine
PubChem CID167229246
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine
SMILESCCC(C)(C)CC(C)(C)c1cnc(CNC)cn1
InChIInChI=1S/C15H27N3/c1-7-14(2,3)11-15(4,5)13-10-17-12(8-16-6)9-18-13/h9-10,16H,7-8,11H2,1-6H3
InChIKeyWLCTXPDYPAFTCG-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine (CID 167229246) is N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine is CCC(C)(C)CC(C)(C)c1cnc(CNC)cn1.
What is the InChIKey of N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine?
The InChIKey is WLCTXPDYPAFTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-14(2,3)11-15(4,5)13-10-17-12(8-16-6)9-18-13/h9-10,16H,7-8,11H2,1-6H3.
What are the key properties of N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine?
N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,4-trimethylhexan-2-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 167229246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).