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

C12H23N3O — CID 106160254

IUPAC2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCc1nccn1CCNCCCC(C)CO
InChIInChI=1S/C12H23N3O/c1-11(10-16)4-3-5-13-6-8-15-9-7-14-12(15)2/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyIHYNQHHXKZWSJP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.19
Rot. Bonds8

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

2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (PubChem CID 106160254) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
PubChem CID106160254
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
SMILESCc1nccn1CCNCCCC(C)CO
InChIInChI=1S/C12H23N3O/c1-11(10-16)4-3-5-13-6-8-15-9-7-14-12(15)2/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyIHYNQHHXKZWSJP-UHFFFAOYSA-N
XLogP1.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.19
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

1H-Imidazole-1-pentanol
CID 12803320
(1-methyl-1H-imidazol-2-yl)(piperidin-4-yl)methanol
CID 44721319
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl}methanol
CID 67127119
4-(1-methyl-1H-imidazol-2-yl)butan-1-ol
CID 68279649
{3-ethyl-1-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 72878540
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
3-amino-2,2-dimethyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-ol
CID 121552300
3-Methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
CID 134858954
Hydroxybutyl imidazole
CID 22934504
1-[4-[[(1-Ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779882
2-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-4-yl)ethanol
CID 91766409
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol (CID 106160254) is 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is Cc1nccn1CCNCCCC(C)CO.
What is the InChIKey of 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
The InChIKey is IHYNQHHXKZWSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(10-16)4-3-5-13-6-8-15-9-7-14-12(15)2/h7,9,11,13,16H,3-6,8,10H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol?
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 106160254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).