4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline

C19H28N2 — CID 66413662

IUPAC4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCCCc1ccc(NCc2cccn2CCC)cc1
InChIInChI=1S/C19H28N2/c1-3-5-6-8-17-10-12-18(13-11-17)20-16-19-9-7-15-21(19)14-4-2/h7,9-13,15,20H,3-6,8,14,16H2,1-2H3
InChIKeyFAHVFHYUBXDISH-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.24
Rot. Bonds9

About 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline

4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 66413662) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID66413662
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCCCc1ccc(NCc2cccn2CCC)cc1
InChIInChI=1S/C19H28N2/c1-3-5-6-8-17-10-12-18(13-11-17)20-16-19-9-7-15-21(19)14-4-2/h7,9-13,15,20H,3-6,8,14,16H2,1-2H3
InChIKeyFAHVFHYUBXDISH-UHFFFAOYSA-N
XLogP5.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412299
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
4-(difluoromethylsulfanyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412293
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
2-[4-[(1-propylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410713
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
2-chloro-5-[(1-propylpyrrol-2-yl)methylamino]benzonitrile
CID 66411132
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 66413662) is 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCCCc1ccc(NCc2cccn2CCC)cc1.
What is the InChIKey of 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is FAHVFHYUBXDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-5-6-8-17-10-12-18(13-11-17)20-16-19-9-7-15-21(19)14-4-2/h7,9-13,15,20H,3-6,8,14,16H2,1-2H3.
What are the key properties of 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 284.45 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66413662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).