3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine

C15H20N4 — CID 62671815

IUPAC3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
SMILESCN(CCCc1ccccc1)c1nccnc1CN
InChIInChI=1S/C15H20N4/c1-19(15-14(12-16)17-9-10-18-15)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12,16H2,1H3
InChIKeySEQRNRQKPLCVOM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.00
Rot. Bonds6

About 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine

3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine (PubChem CID 62671815) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
PubChem CID62671815
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine
SMILESCN(CCCc1ccccc1)c1nccnc1CN
InChIInChI=1S/C15H20N4/c1-19(15-14(12-16)17-9-10-18-15)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12,16H2,1H3
InChIKeySEQRNRQKPLCVOM-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine (CID 62671815) is 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine is CN(CCCc1ccccc1)c1nccnc1CN.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine?
The InChIKey is SEQRNRQKPLCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(15-14(12-16)17-9-10-18-15)11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine?
3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyrazin-2-amine is sourced from PubChem (CID 62671815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).