4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline

C18H24N2 — CID 82092631

IUPAC4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)n1C1CCCC1
InChIInChI=1S/C18H24N2/c1-14-8-13-18(20(14)17-6-4-5-7-17)15-9-11-16(12-10-15)19(2)3/h8-13,17H,4-7H2,1-3H3
InChIKeyYECAIMBPQCCVOI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.64
Rot. Bonds3

About 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline

4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline (PubChem CID 82092631) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline
PubChem CID82092631
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline
SMILESCc1ccc(-c2ccc(N(C)C)cc2)n1C1CCCC1
InChIInChI=1S/C18H24N2/c1-14-8-13-18(20(14)17-6-4-5-7-17)15-9-11-16(12-10-15)19(2)3/h8-13,17H,4-7H2,1-3H3
InChIKeyYECAIMBPQCCVOI-UHFFFAOYSA-N
XLogP4.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82085166
1-cyclopentyl-2-(4-ethylphenyl)-5-methylpyrrole
CID 82088269
1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole
CID 82078586
N,N-dimethyl-4-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]aniline
CID 91755913
3-cyclopropyl-5-[4-(dimethylamino)phenyl]-2-methylimidazol-4-amine
CID 55047872
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
4-[2-(furan-3-yl)-5-methylpyrrol-1-yl]-N,N-dimethylaniline
CID 91757453
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
2-(1-cyclopentyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440417
1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
CID 82521060
3-acetyl-1-cyclopentyl-6-(4-fluorophenyl)pyridin-2-one
CID 82519443
3-amino-1-cyclohexyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82466859

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline (CID 82092631) is 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline is Cc1ccc(-c2ccc(N(C)C)cc2)n1C1CCCC1.
What is the InChIKey of 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline?
The InChIKey is YECAIMBPQCCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-8-13-18(20(14)17-6-4-5-7-17)15-9-11-16(12-10-15)19(2)3/h8-13,17H,4-7H2,1-3H3.
What are the key properties of 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline?
4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentyl-5-methylpyrrol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 82092631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).