[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine

C13H18N4 — CID 174861724

IUPAC[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine
SMILESCC(CCn1ccnc1)c1ccc(CN)nc1
InChIInChI=1S/C13H18N4/c1-11(4-6-17-7-5-15-10-17)12-2-3-13(8-14)16-9-12/h2-3,5,7,9-11H,4,6,8,14H2,1H3
InChIKeyFXQGTFRDCPGWHT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds5

About [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine

[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine (PubChem CID 174861724) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine
PubChem CID174861724
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine
SMILESCC(CCn1ccnc1)c1ccc(CN)nc1
InChIInChI=1S/C13H18N4/c1-11(4-6-17-7-5-15-10-17)12-2-3-13(8-14)16-9-12/h2-3,5,7,9-11H,4,6,8,14H2,1H3
InChIKeyFXQGTFRDCPGWHT-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylheptyl)imidazole
CID 143241697
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
[5-(1-aminopropan-2-yl)-2-pyridinyl]methanol
CID 70082988
carbonic acid;1-(3-methylpentyl)imidazole
CID 175400753
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
1-(7-methyloctyl)imidazole
CID 59001100
5-fluoro-2-(imidazol-1-ylmethyl)pyridine
CID 126784137

Frequently Asked Questions

What is the IUPAC name of [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine (CID 174861724) is [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine is CC(CCn1ccnc1)c1ccc(CN)nc1.
What is the InChIKey of [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine?
The InChIKey is FXQGTFRDCPGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(4-6-17-7-5-15-10-17)12-2-3-13(8-14)16-9-12/h2-3,5,7,9-11H,4,6,8,14H2,1H3.
What are the key properties of [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine?
[5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-imidazol-1-ylbutan-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 174861724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).