N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine

C12H21N3O — CID 79762322

IUPACN-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1nccn1C
InChIInChI=1S/C12H21N3O/c1-15-10-8-14-12(15)6-4-3-5-7-13-9-11-16-2/h3-4,8,10,13H,5-7,9,11H2,1-2H3
InChIKeyRUFWXMXETSBEHC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds8

About N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine

N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine (PubChem CID 79762322) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
PubChem CID79762322
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
SMILESCOCCNCCC=CCc1nccn1C
InChIInChI=1S/C12H21N3O/c1-15-10-8-14-12(15)6-4-3-5-7-13-9-11-16-2/h3-4,8,10,13H,5-7,9,11H2,1-2H3
InChIKeyRUFWXMXETSBEHC-UHFFFAOYSA-N
XLogP1.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66403432
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438
5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79597905
3-(2-ethylimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62566094
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
CID 79597918

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine (CID 79762322) is N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine is COCCNCCC=CCc1nccn1C.
What is the InChIKey of N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine?
The InChIKey is RUFWXMXETSBEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10-8-14-12(15)6-4-3-5-7-13-9-11-16-2/h3-4,8,10,13H,5-7,9,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine?
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 79762322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).