3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine

C14H18N4 — CID 62672158

IUPAC3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
SMILESCCN(Cc1ccccc1)c1nccnc1CN
InChIInChI=1S/C14H18N4/c1-2-18(11-12-6-4-3-5-7-12)14-13(10-15)16-8-9-17-14/h3-9H,2,10-11,15H2,1H3
InChIKeyCYMJKJIWSYISCZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.96
Rot. Bonds5

About 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine

3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine (PubChem CID 62672158) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
PubChem CID62672158
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
SMILESCCN(Cc1ccccc1)c1nccnc1CN
InChIInChI=1S/C14H18N4/c1-2-18(11-12-6-4-3-5-7-12)14-13(10-15)16-8-9-17-14/h3-9H,2,10-11,15H2,1H3
InChIKeyCYMJKJIWSYISCZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
CID 62671815
2-[[3-(aminomethyl)pyrazin-2-yl]-ethylamino]acetamide
CID 103101246
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61175356
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
2-(aminomethyl)-N-benzyl-N-ethylpyridine-3-sulfonamide
CID 106593798
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine (CID 62672158) is 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine is CCN(Cc1ccccc1)c1nccnc1CN.
What is the InChIKey of 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine?
The InChIKey is CYMJKJIWSYISCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-18(11-12-6-4-3-5-7-12)14-13(10-15)16-8-9-17-14/h3-9H,2,10-11,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine?
3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine is sourced from PubChem (CID 62672158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).