(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine

C13H25NO — CID 166734974

IUPAC(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine
SMILESC=CCC(CC)O/C(C)=C(\C)CC(C)N
InChIInChI=1S/C13H25NO/c1-6-8-13(7-2)15-12(5)10(3)9-11(4)14/h6,11,13H,1,7-9,14H2,2-5H3/b12-10+
InChIKeyGAVRVJMEWQEACT-ZRDIBKRKSA-N
MW211.35 g/mol
LogP3.39
Rot. Bonds7

About (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine

(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine (PubChem CID 166734974) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine.

Molecular Properties

Compound Name(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine
PubChem CID166734974
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine
SMILESC=CCC(CC)O/C(C)=C(\C)CC(C)N
InChIInChI=1S/C13H25NO/c1-6-8-13(7-2)15-12(5)10(3)9-11(4)14/h6,11,13H,1,7-9,14H2,2-5H3/b12-10+
InChIKeyGAVRVJMEWQEACT-ZRDIBKRKSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine?
The IUPAC name of (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine (CID 166734974) is (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine.
What is the SMILES notation for (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine?
The canonical SMILES for (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine is C=CCC(CC)O/C(C)=C(\C)CC(C)N.
What is the InChIKey of (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine?
The InChIKey is GAVRVJMEWQEACT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-13(7-2)15-12(5)10(3)9-11(4)14/h6,11,13H,1,7-9,14H2,2-5H3/b12-10+.
What are the key properties of (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine?
(E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hex-5-en-3-yloxy-4-methylhex-4-en-2-amine is sourced from PubChem (CID 166734974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).