N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine

C16H21N3 — CID 74239331

IUPACN-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)c1ccc(CN(C)Cc2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-13(2)15-6-4-14(5-7-15)11-19(3)12-16-10-17-8-9-18-16/h4-10,13H,11-12H2,1-3H3
InChIKeyIWZWWPOBVHJSFF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.23
Rot. Bonds5

About N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine

N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 74239331) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID74239331
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCC(C)c1ccc(CN(C)Cc2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-13(2)15-6-4-14(5-7-15)11-19(3)12-16-10-17-8-9-18-16/h4-10,13H,11-12H2,1-3H3
InChIKeyIWZWWPOBVHJSFF-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
CID 122142133
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 77083522
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546
N-methyl-1-(2-phenylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74243937

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine (CID 74239331) is N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine is CC(C)c1ccc(CN(C)Cc2cnccn2)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is IWZWWPOBVHJSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(2)15-6-4-14(5-7-15)11-19(3)12-16-10-17-8-9-18-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine?
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 74239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).