1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine

C23H34N2 — CID 143376063

IUPAC1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine
SMILESC=C(CCCCc1ccc(C)cc1)c1ccc(CCC(N)CC)n1C
InChIInChI=1S/C23H34N2/c1-5-21(24)14-15-22-16-17-23(25(22)4)19(3)8-6-7-9-20-12-10-18(2)11-13-20/h10-13,16-17,21H,3,5-9,14-15,24H2,1-2,4H3
InChIKeyPGRXNPLJIPGMOQ-UHFFFAOYSA-N
MW338.54 g/mol
LogP5.43
Rot. Bonds10

About 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine

1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine (PubChem CID 143376063) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine
PubChem CID143376063
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine
SMILESC=C(CCCCc1ccc(C)cc1)c1ccc(CCC(N)CC)n1C
InChIInChI=1S/C23H34N2/c1-5-21(24)14-15-22-16-17-23(25(22)4)19(3)8-6-7-9-20-12-10-18(2)11-13-20/h10-13,16-17,21H,3,5-9,14-15,24H2,1-2,4H3
InChIKeyPGRXNPLJIPGMOQ-UHFFFAOYSA-N
XLogP5.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine?
The IUPAC name of 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine (CID 143376063) is 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine.
What is the SMILES notation for 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine?
The canonical SMILES for 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine is C=C(CCCCc1ccc(C)cc1)c1ccc(CCC(N)CC)n1C.
What is the InChIKey of 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine?
The InChIKey is PGRXNPLJIPGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-5-21(24)14-15-22-16-17-23(25(22)4)19(3)8-6-7-9-20-12-10-18(2)11-13-20/h10-13,16-17,21H,3,5-9,14-15,24H2,1-2,4H3.
What are the key properties of 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine?
1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine has a molecular weight of 338.54 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[6-(4-methylphenyl)hex-1-en-2-yl]pyrrol-2-yl]pentan-3-amine is sourced from PubChem (CID 143376063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).