(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine

C10H17NO — CID 89360210

IUPAC(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/COC)N(C)C
InChIInChI=1S/C10H17NO/c1-5-7-10(11(2)3)8-6-9-12-4/h5-8H,1,9H2,2-4H3/b8-6-,10-7+
InChIKeyKOANXYUMNCNPEI-GOOBONSCSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds5

About (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine

(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine (PubChem CID 89360210) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
PubChem CID89360210
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/COC)N(C)C
InChIInChI=1S/C10H17NO/c1-5-7-10(11(2)3)8-6-9-12-4/h5-8H,1,9H2,2-4H3/b8-6-,10-7+
InChIKeyKOANXYUMNCNPEI-GOOBONSCSA-N
XLogP1.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
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,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine (CID 89360210) is (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/COC)N(C)C.
What is the InChIKey of (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine?
The InChIKey is KOANXYUMNCNPEI-GOOBONSCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7-10(11(2)3)8-6-9-12-4/h5-8H,1,9H2,2-4H3/b8-6-,10-7+.
What are the key properties of (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine?
(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine has a molecular weight of 167.25 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 89360210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).