4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine

C15H24N4 — CID 66443821

IUPAC4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
SMILESCCCn1cccc1CNCCCCn1ccnc1
InChIInChI=1S/C15H24N4/c1-2-9-19-11-5-6-15(19)13-16-7-3-4-10-18-12-8-17-14-18/h5-6,8,11-12,14,16H,2-4,7,9-10,13H2,1H3
InChIKeyRTUCWFQAXSDZEJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.66
Rot. Bonds9

About 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine

4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine (PubChem CID 66443821) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
PubChem CID66443821
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine
SMILESCCCn1cccc1CNCCCCn1ccnc1
InChIInChI=1S/C15H24N4/c1-2-9-19-11-5-6-15(19)13-16-7-3-4-10-18-12-8-17-14-18/h5-6,8,11-12,14,16H,2-4,7,9-10,13H2,1H3
InChIKeyRTUCWFQAXSDZEJ-UHFFFAOYSA-N
XLogP2.66
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 66413353
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
N-[(1-ethylimidazol-2-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 62351544
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
4-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 61069052
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 64801847
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine (CID 66443821) is 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine is CCCn1cccc1CNCCCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine?
The InChIKey is RTUCWFQAXSDZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-9-19-11-5-6-15(19)13-16-7-3-4-10-18-12-8-17-14-18/h5-6,8,11-12,14,16H,2-4,7,9-10,13H2,1H3.
What are the key properties of 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine?
4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 66443821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).