(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine

C11H17NO — CID 130291942

IUPAC(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C=C)NC)COC
InChIInChI=1S/C11H17NO/c1-5-10(9-13-4)7-8-11(6-2)12-3/h5-8,12H,1-2,9H2,3-4H3/b10-7+,11-8+
InChIKeyBXIHHKZFVXZFAP-AMMQDNIMSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds6

About (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine

(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine (PubChem CID 130291942) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine
PubChem CID130291942
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C=C)NC)COC
InChIInChI=1S/C11H17NO/c1-5-10(9-13-4)7-8-11(6-2)12-3/h5-8,12H,1-2,9H2,3-4H3/b10-7+,11-8+
InChIKeyBXIHHKZFVXZFAP-AMMQDNIMSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine (CID 130291942) is (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine is C=C/C(=C\C=C(/C=C)NC)COC.
What is the InChIKey of (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine?
The InChIKey is BXIHHKZFVXZFAP-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-10(9-13-4)7-8-11(6-2)12-3/h5-8,12H,1-2,9H2,3-4H3/b10-7+,11-8+.
What are the key properties of (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine?
(3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(methoxymethyl)-N-methylocta-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 130291942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).