(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine

C14H23N3O — CID 70190572

IUPAC(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine
SMILESC=C(C)O/C(C)=C(\N)CC(C)n1cc(C)nc1C
InChIInChI=1S/C14H23N3O/c1-9(2)18-12(5)14(15)7-11(4)17-8-10(3)16-13(17)6/h8,11H,1,7,15H2,2-6H3/b14-12-
InChIKeyIHAHYBBSLVDPBW-OWBHPGMISA-N
MW249.36 g/mol
LogP3.19
Rot. Bonds5

About (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine

(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine (PubChem CID 70190572) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine.

Molecular Properties

Compound Name(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine
PubChem CID70190572
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine
SMILESC=C(C)O/C(C)=C(\N)CC(C)n1cc(C)nc1C
InChIInChI=1S/C14H23N3O/c1-9(2)18-12(5)14(15)7-11(4)17-8-10(3)16-13(17)6/h8,11H,1,7,15H2,2-6H3/b14-12-
InChIKeyIHAHYBBSLVDPBW-OWBHPGMISA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine?
The IUPAC name of (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine (CID 70190572) is (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine.
What is the SMILES notation for (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine?
The canonical SMILES for (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine is C=C(C)O/C(C)=C(\N)CC(C)n1cc(C)nc1C.
What is the InChIKey of (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine?
The InChIKey is IHAHYBBSLVDPBW-OWBHPGMISA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)18-12(5)14(15)7-11(4)17-8-10(3)16-13(17)6/h8,11H,1,7,15H2,2-6H3/b14-12-.
What are the key properties of (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine?
(Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine has a molecular weight of 249.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2,4-dimethylimidazol-1-yl)-2-prop-1-en-2-yloxyhex-2-en-3-amine is sourced from PubChem (CID 70190572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).