5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol

C11H21N3O — CID 107317411

IUPAC5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCc1nccn1CCNCCCCCO
InChIInChI=1S/C11H21N3O/c1-11-13-7-9-14(11)8-6-12-5-3-2-4-10-15/h7,9,12,15H,2-6,8,10H2,1H3
InChIKeyKAFPPZMAMAOMET-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.94
Rot. Bonds8

About 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol

5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (PubChem CID 107317411) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
PubChem CID107317411
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCc1nccn1CCNCCCCCO
InChIInChI=1S/C11H21N3O/c1-11-13-7-9-14(11)8-6-12-5-3-2-4-10-15/h7,9,12,15H,2-6,8,10H2,1H3
InChIKeyKAFPPZMAMAOMET-UHFFFAOYSA-N
XLogP0.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 114136882
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
2-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]-3-methylsulfanylpropan-2-ol
CID 106247158
2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
2-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429372
4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol
CID 159239141

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (CID 107317411) is 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is Cc1nccn1CCNCCCCCO.
What is the InChIKey of 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The InChIKey is KAFPPZMAMAOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11-13-7-9-14(11)8-6-12-5-3-2-4-10-15/h7,9,12,15H,2-6,8,10H2,1H3.
What are the key properties of 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 107317411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).