(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine

C10H19NO — CID 177191910

IUPAC(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/OC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-8(11)7-9(12-5)10(2,3)4/h6-7H,11H2,1-5H3/b8-6+,9-7-
InChIKeyWGJPCPXDFWHFJF-FFELTBSMSA-N
MW169.27 g/mol
LogP2.43
Rot. Bonds2

About (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine

(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine (PubChem CID 177191910) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine
PubChem CID177191910
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(N)\C=C(/OC)C(C)(C)C
InChIInChI=1S/C10H19NO/c1-6-8(11)7-9(12-5)10(2,3)4/h6-7H,11H2,1-5H3/b8-6+,9-7-
InChIKeyWGJPCPXDFWHFJF-FFELTBSMSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.43
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 (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine (CID 177191910) is (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine is C/C=C(N)\C=C(/OC)C(C)(C)C.
What is the InChIKey of (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine?
The InChIKey is WGJPCPXDFWHFJF-FFELTBSMSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-8(11)7-9(12-5)10(2,3)4/h6-7H,11H2,1-5H3/b8-6+,9-7-.
What are the key properties of (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine?
(2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine has a molecular weight of 169.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-methoxy-6,6-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 177191910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).