(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine

C8H13NO — CID 143268189

IUPAC(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/OC)C(=C)C
InChIInChI=1S/C8H13NO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3,9H2,2,4H3/b8-5+
InChIKeyYPYVLBRFMQCKCJ-VMPITWQZSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds3

About (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine

(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine (PubChem CID 143268189) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine
PubChem CID143268189
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(/OC)C(=C)C
InChIInChI=1S/C8H13NO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3,9H2,2,4H3/b8-5+
InChIKeyYPYVLBRFMQCKCJ-VMPITWQZSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.57
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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Related Compounds

(3E)-5-methyl-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 177992452
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
2,2-Dimethylpyran-4-amine
CID 68748502
(3E)-5-methoxy-6-methylhepta-1,3,5-trien-3-amine
CID 88235023
(3Z,5E)-6-methoxy-2-methylocta-3,5,7-trien-3-amine
CID 88936644
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
CID 90137721
5-methyl-2H-pyran-4-amine
CID 117900896
(2E,4Z,6Z)-5-ethoxy-4-[(E)-prop-1-enyl]octa-2,4,6-trien-2-amine
CID 126711921
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
CID 126735355

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine (CID 143268189) is (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine is C=C(N)/C=C(/OC)C(=C)C.
What is the InChIKey of (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine?
The InChIKey is YPYVLBRFMQCKCJ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)8(10-4)5-7(3)9/h5H,1,3,9H2,2,4H3/b8-5+.
What are the key properties of (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine?
(3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methoxy-5-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143268189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).