N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

C18H23N3 — CID 114602740

IUPACN-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)c1cnccn1
InChIInChI=1S/C18H23N3/c1-2-9-21-18(17-13-19-10-11-20-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,10-14,18,21H,2-3,5-6,9H2,1H3
InChIKeySGWUZNHSUFEODV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds6

About N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine

N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (PubChem CID 114602740) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
PubChem CID114602740
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)c1cnccn1
InChIInChI=1S/C18H23N3/c1-2-9-21-18(17-13-19-10-11-20-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,10-14,18,21H,2-3,5-6,9H2,1H3
InChIKeySGWUZNHSUFEODV-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105053686
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-[(4-ethylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 62542571
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(6-methyl-2-pyridinyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63970482
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine (CID 114602740) is N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is CCCNC(c1cccc(C2CCC2)c1)c1cnccn1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
The InChIKey is SGWUZNHSUFEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-9-21-18(17-13-19-10-11-20-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,10-14,18,21H,2-3,5-6,9H2,1H3.
What are the key properties of N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine?
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 114602740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).