4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline

C16H19N3O — CID 62762348

IUPAC4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
SMILESc1cnc(CNc2ccc(OC3CCCC3)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-2-4-15(3-1)20-16-7-5-13(6-8-16)19-12-14-11-17-9-10-18-14/h5-11,15,19H,1-4,12H2
InChIKeyYPEZLJUCCGHJJT-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.41
Rot. Bonds5

About 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline

4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62762348) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62762348
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
SMILESc1cnc(CNc2ccc(OC3CCCC3)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-2-4-15(3-1)20-16-7-5-13(6-8-16)19-12-14-11-17-9-10-18-14/h5-11,15,19H,1-4,12H2
InChIKeyYPEZLJUCCGHJJT-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603
N-(pyrazin-2-ylmethyl)cyclooctanamine
CID 62761254
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 63825157
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
4-cyclopentyloxy-N-prop-2-ynylaniline
CID 63953479
4-cycloheptyloxy-N-methylaniline
CID 82930112
3-cycloheptyloxypyridine
CID 112558615
4-cyclopentyloxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688032
N-[(3-bromophenyl)methyl]-4-cyclopentyloxyaniline
CID 43702520
4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132218
1-(4-cyclopentyloxyphenyl)-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 75428079
5-cyclopentyloxy-2-ethylpyridine
CID 143839815

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline (CID 62762348) is 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline is c1cnc(CNc2ccc(OC3CCCC3)cc2)cn1.
What is the InChIKey of 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is YPEZLJUCCGHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-15(3-1)20-16-7-5-13(6-8-16)19-12-14-11-17-9-10-18-14/h5-11,15,19H,1-4,12H2.
What are the key properties of 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline?
4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 269.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62762348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).