N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride

C10H20ClN3O — CID 115607731

IUPACN-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
SMILESCOCCCCCNCc1cnc[nH]1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-14-6-4-2-3-5-11-7-10-8-12-9-13-10;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyXEZLEWIXHOTGBW-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.74
Rot. Bonds8

About N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride

N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride (PubChem CID 115607731) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
PubChem CID115607731
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
SMILESCOCCCCCNCc1cnc[nH]1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-14-6-4-2-3-5-11-7-10-8-12-9-13-10;/h8-9,11H,2-7H2,1H3,(H,12,13);1H
InChIKeyXEZLEWIXHOTGBW-UHFFFAOYSA-N
XLogP1.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine;hydrochloride
CID 115607154
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625163
3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115639457
N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride
CID 115607898
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
CID 62761589
2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115770529
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride (CID 115607731) is N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride is COCCCCCNCc1cnc[nH]1.Cl.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride?
The InChIKey is XEZLEWIXHOTGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-14-6-4-2-3-5-11-7-10-8-12-9-13-10;/h8-9,11H,2-7H2,1H3,(H,12,13);1H.
What are the key properties of N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride?
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride is sourced from PubChem (CID 115607731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).