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

C8H13NO — CID 142239243

IUPAC(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(/C)C(=C)N)OC
InChIInChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5H,2-3,9H2,1,4H3/b6-5-
InChIKeyLSOLDRDNFMIKKS-WAYWQWQTSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds3

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

(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine (PubChem CID 142239243) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine
PubChem CID142239243
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine
SMILESC=C(/C=C(/C)C(=C)N)OC
InChIInChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5H,2-3,9H2,1,4H3/b6-5-
InChIKeyLSOLDRDNFMIKKS-WAYWQWQTSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine (CID 142239243) is (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine is C=C(/C=C(/C)C(=C)N)OC.
What is the InChIKey of (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine?
The InChIKey is LSOLDRDNFMIKKS-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(8(3)9)5-7(2)10-4/h5H,2-3,9H2,1,4H3/b6-5-.
What are the key properties of (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine?
(3Z)-5-methoxy-3-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 (3Z)-5-methoxy-3-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142239243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).