(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine

C10H17NO — CID 137427656

IUPAC(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(NC)/C(=C\C(C)=C/C)OC
InChIInChI=1S/C10H17NO/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3H2,1-2,4-5H3/b8-6-,10-7+
InChIKeyZBJLPUFIIDQEPZ-GOOBONSCSA-N
MW167.25 g/mol
LogP2.22
Rot. Bonds4

About (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine

(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine (PubChem CID 137427656) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
PubChem CID137427656
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(NC)/C(=C\C(C)=C/C)OC
InChIInChI=1S/C10H17NO/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3H2,1-2,4-5H3/b8-6-,10-7+
InChIKeyZBJLPUFIIDQEPZ-GOOBONSCSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.22
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,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine (CID 137427656) is (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine is C=C(NC)/C(=C\C(C)=C/C)OC.
What is the InChIKey of (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine?
The InChIKey is ZBJLPUFIIDQEPZ-GOOBONSCSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8(2)7-10(12-5)9(3)11-4/h6-7,11H,3H2,1-2,4-5H3/b8-6-,10-7+.
What are the key properties of (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine?
(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 137427656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).