(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine

C14H25N3O — CID 114532898

IUPAC(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CCc1nccn1C
InChIInChI=1S/C14H25N3O/c1-13(5-4-8-15-10-12-18-3)6-7-14-16-9-11-17(14)2/h5,9,11,15H,4,6-8,10,12H2,1-3H3/b13-5-
InChIKeyXOROVKOULZRYSK-ACAGNQJTSA-N
MW251.37 g/mol
LogP1.93
Rot. Bonds9

About (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine

(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine (PubChem CID 114532898) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
PubChem CID114532898
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CCc1nccn1C
InChIInChI=1S/C14H25N3O/c1-13(5-4-8-15-10-12-18-3)6-7-14-16-9-11-17(14)2/h5,9,11,15H,4,6-8,10,12H2,1-3H3/b13-5-
InChIKeyXOROVKOULZRYSK-ACAGNQJTSA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.93
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

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CID 72394290
4-(2-imidazol-1-ylethyl)-2,3,6,7-tetrahydro-1H-azepine
CID 91135795
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2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine (CID 114532898) is (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine is COCCNCC/C=C(/C)CCc1nccn1C.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine?
The InChIKey is XOROVKOULZRYSK-ACAGNQJTSA-N. The full InChI is InChI=1S/C14H25N3O/c1-13(5-4-8-15-10-12-18-3)6-7-14-16-9-11-17(14)2/h5,9,11,15H,4,6-8,10,12H2,1-3H3/b13-5-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine?
(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine is sourced from PubChem (CID 114532898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).