1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine

C20H27N3O — CID 75428079

IUPAC1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cnccn1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-19(23-15(2)20-14-21-12-13-22-20)16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-15,17,19,23H,3-7H2,1-2H3
InChIKeyJZVARWKCSFVUCT-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.60
Rot. Bonds7

About 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine

1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine (PubChem CID 75428079) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine
PubChem CID75428079
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cnccn1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-19(23-15(2)20-14-21-12-13-22-20)16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-15,17,19,23H,3-7H2,1-2H3
InChIKeyJZVARWKCSFVUCT-UHFFFAOYSA-N
XLogP4.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine (CID 75428079) is 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine is CCC(NC(C)c1cnccn1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine?
The InChIKey is JZVARWKCSFVUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-19(23-15(2)20-14-21-12-13-22-20)16-8-10-18(11-9-16)24-17-6-4-5-7-17/h8-15,17,19,23H,3-7H2,1-2H3.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine?
1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 75428079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).