4-(1H-imidazol-2-ylmethylamino)butan-1-ol

C8H15N3O — CID 106840602

IUPAC4-(1H-imidazol-2-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1ncc[nH]1
InChIInChI=1S/C8H15N3O/c12-6-2-1-3-9-7-8-10-4-5-11-8/h4-5,9,12H,1-3,6-7H2,(H,10,11)
InChIKeyUWGRKMJFSHFNSD-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.27
Rot. Bonds6

About 4-(1H-imidazol-2-ylmethylamino)butan-1-ol

4-(1H-imidazol-2-ylmethylamino)butan-1-ol (PubChem CID 106840602) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethylamino)butan-1-ol
PubChem CID106840602
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(1H-imidazol-2-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1ncc[nH]1
InChIInChI=1S/C8H15N3O/c12-6-2-1-3-9-7-8-10-4-5-11-8/h4-5,9,12H,1-3,6-7H2,(H,10,11)
InChIKeyUWGRKMJFSHFNSD-UHFFFAOYSA-N
XLogP0.27
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.27
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

3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
5-(1H-imidazol-2-ylmethylamino)-2,2-dimethylpentan-1-ol
CID 111467371
3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 147408863
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115608422
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119111479
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-(1H-imidazol-2-ylmethyl)-N'-methyl-N'-phenylbutane-1,4-diamine
CID 119111564
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
CID 119111442
N-[3-(1H-imidazol-2-ylmethylamino)propyl]ethanesulfonamide
CID 119111794
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
2-ethylsulfinyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 115632381

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethylamino)butan-1-ol?
The IUPAC name of 4-(1H-imidazol-2-ylmethylamino)butan-1-ol (CID 106840602) is 4-(1H-imidazol-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-(1H-imidazol-2-ylmethylamino)butan-1-ol is OCCCCNCc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethylamino)butan-1-ol?
The InChIKey is UWGRKMJFSHFNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c12-6-2-1-3-9-7-8-10-4-5-11-8/h4-5,9,12H,1-3,6-7H2,(H,10,11).
What are the key properties of 4-(1H-imidazol-2-ylmethylamino)butan-1-ol?
4-(1H-imidazol-2-ylmethylamino)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 106840602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).