N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine

C12H23N3O2 — CID 103178855

IUPACN-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOCCCOCCNCCc1nccn1C
InChIInChI=1S/C12H23N3O2/c1-15-8-6-14-12(15)4-5-13-7-11-17-10-3-9-16-2/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyRVBFWUCGZVLVSU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.61
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 103178855) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID103178855
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOCCCOCCNCCc1nccn1C
InChIInChI=1S/C12H23N3O2/c1-15-8-6-14-12(15)4-5-13-7-11-17-10-3-9-16-2/h6,8,13H,3-5,7,9-11H2,1-2H3
InChIKeyRVBFWUCGZVLVSU-UHFFFAOYSA-N
XLogP0.61
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.61
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

N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114527813
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 103178855) is N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine is COCCCOCCNCCc1nccn1C.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is RVBFWUCGZVLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-15-8-6-14-12(15)4-5-13-7-11-17-10-3-9-16-2/h6,8,13H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 0.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 103178855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).