(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine

C10H17NO — CID 142536205

IUPAC(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
SMILESC=C(/C=C(/N)C(=C)OC)CCC
InChIInChI=1S/C10H17NO/c1-5-6-8(2)7-10(11)9(3)12-4/h7H,2-3,5-6,11H2,1,4H3/b10-7+
InChIKeyCQWVNBJJLQBNGL-JXMROGBWSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds5

About (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine

(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine (PubChem CID 142536205) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
PubChem CID142536205
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine
SMILESC=C(/C=C(/N)C(=C)OC)CCC
InChIInChI=1S/C10H17NO/c1-5-6-8(2)7-10(11)9(3)12-4/h7H,2-3,5-6,11H2,1,4H3/b10-7+
InChIKeyCQWVNBJJLQBNGL-JXMROGBWSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine (CID 142536205) is (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine is C=C(/C=C(/N)C(=C)OC)CCC.
What is the InChIKey of (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine?
The InChIKey is CQWVNBJJLQBNGL-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-8(2)7-10(11)9(3)12-4/h7H,2-3,5-6,11H2,1,4H3/b10-7+.
What are the key properties of (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine?
(3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methoxy-5-methylideneocta-1,3-dien-3-amine is sourced from PubChem (CID 142536205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).