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

C9H15NO — CID 134365773

IUPAC(2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CNC)OC
InChIInChI=1S/C9H15NO/c1-4-6-9(11-3)7-5-8-10-2/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+
InChIKeyBZDNSEHIJCPIQT-XCZNYUDNSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds5

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

(2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine (PubChem CID 134365773) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine
PubChem CID134365773
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/CNC)OC
InChIInChI=1S/C9H15NO/c1-4-6-9(11-3)7-5-8-10-2/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+
InChIKeyBZDNSEHIJCPIQT-XCZNYUDNSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
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 (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine (CID 134365773) is (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine is C=C/C=C(\C=C/CNC)OC.
What is the InChIKey of (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine?
The InChIKey is BZDNSEHIJCPIQT-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-9(11-3)7-5-8-10-2/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+.
What are the key properties of (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine?
(2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methoxy-N-methylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 134365773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).