1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C17H21N3 — CID 62847899

IUPAC1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1ccc(C(NCc2cnc(C)cn2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)17(15-7-8-15)20-11-16-10-18-13(2)9-19-16/h3-6,9-10,15,17,20H,7-8,11H2,1-2H3
InChIKeyJJRWCGYAZCZJOH-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.33
Rot. Bonds5

About 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 62847899) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID62847899
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1ccc(C(NCc2cnc(C)cn2)C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)17(15-7-8-15)20-11-16-10-18-13(2)9-19-16/h3-6,9-10,15,17,20H,7-8,11H2,1-2H3
InChIKeyJJRWCGYAZCZJOH-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 84588098
1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 80707743
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
5-N-[cyclopropyl-(4-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782583
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 62847899) is 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1ccc(C(NCc2cnc(C)cn2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is JJRWCGYAZCZJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-3-5-14(6-4-12)17(15-7-8-15)20-11-16-10-18-13(2)9-19-16/h3-6,9-10,15,17,20H,7-8,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 62847899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).