1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine

C13H25N3O2 — CID 102928065

IUPAC1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
SMILESCNC(CCOCCOC)CCc1nccn1C
InChIInChI=1S/C13H25N3O2/c1-14-12(6-9-18-11-10-17-3)4-5-13-15-7-8-16(13)2/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyOOQALXBHGVPTRV-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.99
Rot. Bonds10

About 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine

1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine (PubChem CID 102928065) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
PubChem CID102928065
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
SMILESCNC(CCOCCOC)CCc1nccn1C
InChIInChI=1S/C13H25N3O2/c1-14-12(6-9-18-11-10-17-3)4-5-13-15-7-8-16(13)2/h7-8,12,14H,4-6,9-11H2,1-3H3
InChIKeyOOQALXBHGVPTRV-UHFFFAOYSA-N
XLogP0.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 102927322
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
4-(2-methoxyethoxy)-1-(1-methylimidazol-2-yl)butan-2-one
CID 102927313
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine (CID 102928065) is 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine is CNC(CCOCCOC)CCc1nccn1C.
What is the InChIKey of 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine?
The InChIKey is OOQALXBHGVPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-12(6-9-18-11-10-17-3)4-5-13-15-7-8-16(13)2/h7-8,12,14H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine?
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine has a molecular weight of 255.36 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine is sourced from PubChem (CID 102928065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).