(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine

C10H17NO — CID 130330265

IUPAC(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CNC)COC
InChIInChI=1S/C10H17NO/c1-4-6-10(9-12-3)7-5-8-11-2/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+
InChIKeySKOSUYOYZJSYPG-ZPRNNRRZSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds6

About (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine

(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine (PubChem CID 130330265) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
PubChem CID130330265
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CNC)COC
InChIInChI=1S/C10H17NO/c1-4-6-10(9-12-3)7-5-8-11-2/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+
InChIKeySKOSUYOYZJSYPG-ZPRNNRRZSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
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 (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine (CID 130330265) is (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine is C=C/C=C(\C=C/CNC)COC.
What is the InChIKey of (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine?
The InChIKey is SKOSUYOYZJSYPG-ZPRNNRRZSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-10(9-12-3)7-5-8-11-2/h4-7,11H,1,8-9H2,2-3H3/b7-5-,10-6+.
What are the key properties of (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine?
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 130330265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).