(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine

C10H17NO — CID 137427593

IUPAC(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine
SMILESC/C=C(OC)\C(N)=C/C=C(C)C
InChIInChI=1S/C10H17NO/c1-5-10(12-4)9(11)7-6-8(2)3/h5-7H,11H2,1-4H3/b9-7+,10-5+
InChIKeyHCIFFNAPCFTVAD-JCVPOOLXSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds3

About (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine

(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine (PubChem CID 137427593) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Name(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine
PubChem CID137427593
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine
SMILESC/C=C(OC)\C(N)=C/C=C(C)C
InChIInChI=1S/C10H17NO/c1-5-10(12-4)9(11)7-6-8(2)3/h5-7H,11H2,1-4H3/b9-7+,10-5+
InChIKeyHCIFFNAPCFTVAD-JCVPOOLXSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
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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Launch Full Analysis

Related Compounds

(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine
CID 169253016
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(3E)-2-methoxypenta-1,3-dien-3-amine
CID 89033342
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
(3E,5E)-5-methoxyhepta-1,3,5-trien-3-amine
CID 118085791
(3E)-3-methoxyhexa-1,3,5-trien-2-amine
CID 130183715
(3Z)-3-ethenoxy-4-methylhexa-1,3,5-trien-2-amine
CID 130389853
(2E,4E)-4-propan-2-yloxyhexa-2,4-dien-3-amine
CID 132048774
ethane;(3Z)-5-[(2E)-5-methylhexa-2,4-dien-2-yl]oxyhexa-1,3,5-trien-2-amine
CID 141956319
(2E,4E)-4-methoxyhexa-2,4-dien-3-amine
CID 142167564
ethane;methane;(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine;propane
CID 142239242

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine?
The IUPAC name of (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine (CID 137427593) is (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine.
What is the SMILES notation for (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine?
The canonical SMILES for (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine is C/C=C(OC)\C(N)=C/C=C(C)C.
What is the InChIKey of (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine?
The InChIKey is HCIFFNAPCFTVAD-JCVPOOLXSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(12-4)9(11)7-6-8(2)3/h5-7H,11H2,1-4H3/b9-7+,10-5+.
What are the key properties of (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine?
(2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine has a molecular weight of 167.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methoxy-7-methylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 137427593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).