5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

C10H19N3O — CID 107302918

IUPAC5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCCCO)[nH]1
InChIInChI=1S/C10H19N3O/c1-9-12-8-10(13-9)7-11-5-3-2-4-6-14/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeySUGYAOYVVXLIBI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.97
Rot. Bonds7

About 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol

5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (PubChem CID 107302918) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
PubChem CID107302918
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
SMILESCc1ncc(CNCCCCCO)[nH]1
InChIInChI=1S/C10H19N3O/c1-9-12-8-10(13-9)7-11-5-3-2-4-6-14/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeySUGYAOYVVXLIBI-UHFFFAOYSA-N
XLogP0.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 103859407
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63983613
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547501
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
[4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]phenyl]methanol
CID 107230249
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
5-[(5-methylpyrazin-2-yl)methylamino]pentan-1-ol
CID 62848095
3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide
CID 62742559

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol (CID 107302918) is 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is Cc1ncc(CNCCCCCO)[nH]1.
What is the InChIKey of 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is SUGYAOYVVXLIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9-12-8-10(13-9)7-11-5-3-2-4-6-14/h8,11,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol?
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107302918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).