4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline

C17H24N2 — CID 66399039

IUPAC4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCc1ccc(NCc2ccn(CCC)c2)cc1
InChIInChI=1S/C17H24N2/c1-3-5-15-6-8-17(9-7-15)18-13-16-10-12-19(14-16)11-4-2/h6-10,12,14,18H,3-5,11,13H2,1-2H3
InChIKeyWDDXBEKWMANWGO-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.46
Rot. Bonds7

About 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline

4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66399039) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66399039
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCc1ccc(NCc2ccn(CCC)c2)cc1
InChIInChI=1S/C17H24N2/c1-3-5-15-6-8-17(9-7-15)18-13-16-10-12-19(14-16)11-4-2/h6-10,12,14,18H,3-5,11,13H2,1-2H3
InChIKeyWDDXBEKWMANWGO-UHFFFAOYSA-N
XLogP4.46
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398402
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
3-bromo-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416185
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
2,2-difluoro-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 66397523
2-chloro-4-[(1-propylpyrrol-3-yl)methylamino]benzonitrile
CID 66397556
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
CID 66413787
3-chloro-4-propoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66414383
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66397542

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66399039) is 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCc1ccc(NCc2ccn(CCC)c2)cc1.
What is the InChIKey of 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is WDDXBEKWMANWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-5-15-6-8-17(9-7-15)18-13-16-10-12-19(14-16)11-4-2/h6-10,12,14,18H,3-5,11,13H2,1-2H3.
What are the key properties of 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline has a molecular weight of 256.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).