4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline

C16H22N2 — CID 62327186

IUPAC4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCCCCCc1ccc(NCc2ccc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-2-3-4-6-14-8-10-15(11-9-14)18-13-16-7-5-12-17-16/h5,7-12,17-18H,2-4,6,13H2,1H3
InChIKeyALHLJLSXRGSHNK-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.36
Rot. Bonds7

About 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline

4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62327186) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62327186
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCCCCCc1ccc(NCc2ccc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-2-3-4-6-14-8-10-15(11-9-14)18-13-16-7-5-12-17-16/h5,7-12,17-18H,2-4,6,13H2,1H3
InChIKeyALHLJLSXRGSHNK-UHFFFAOYSA-N
XLogP4.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
4-iodo-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329060
N-ethyl-4-nonylaniline
CID 154108619
N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N-(2,2-dimethylpropyl)-4-pentylaniline
CID 63421535
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
2-[(2E)-3-(4-pentylphenyl)penta-2,4-dienyl]-1H-pyrrole
CID 167185306
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62327186) is 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline is CCCCCc1ccc(NCc2ccc[nH]2)cc1.
What is the InChIKey of 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is ALHLJLSXRGSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-4-6-14-8-10-15(11-9-14)18-13-16-7-5-12-17-16/h5,7-12,17-18H,2-4,6,13H2,1H3.
What are the key properties of 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline?
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 242.37 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62327186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).