N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine

C9H17N3O — CID 62762848

IUPACN-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-13-5-3-2-4-10-6-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGXOJLRAISQWSDB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.93
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine

N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine (PubChem CID 62762848) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
PubChem CID62762848
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-13-5-3-2-4-10-6-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGXOJLRAISQWSDB-UHFFFAOYSA-N
XLogP0.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
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)-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
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine (CID 62762848) is N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine is COCCCCNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine?
The InChIKey is GXOJLRAISQWSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-13-5-3-2-4-10-6-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine?
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.93, 7 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)-4-methoxybutan-1-amine is sourced from PubChem (CID 62762848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).