3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol

C8H15N3O — CID 107972056

IUPAC3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESCn1cnc(CNCCCO)c1
InChIInChI=1S/C8H15N3O/c1-11-6-8(10-7-11)5-9-3-2-4-12/h6-7,9,12H,2-5H2,1H3
InChIKeyXREMSSRJRLQHLT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.11
Rot. Bonds5

About 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol

3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol (PubChem CID 107972056) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol
PubChem CID107972056
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol
SMILESCn1cnc(CNCCCO)c1
InChIInChI=1S/C8H15N3O/c1-11-6-8(10-7-11)5-9-3-2-4-12/h6-7,9,12H,2-5H2,1H3
InChIKeyXREMSSRJRLQHLT-UHFFFAOYSA-N
XLogP-0.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.11
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

N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107972077
N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107971995
1,1-dimethyl-2-[(1-methylimidazol-4-yl)methyl]hydrazine
CID 130598738
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
4-ethyl-1-methylimidazole
CID 20517177
ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
CID 176932121
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
5-[(5-methylpyrazin-2-yl)methylamino]pentan-1-ol
CID 62848095
1-methyl-4-propylimidazole
CID 20703275

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol (CID 107972056) is 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol is Cn1cnc(CNCCCO)c1.
What is the InChIKey of 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is XREMSSRJRLQHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-6-8(10-7-11)5-9-3-2-4-12/h6-7,9,12H,2-5H2,1H3.
What are the key properties of 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol?
3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 107972056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).