ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine

C10H19NO — CID 144610849

IUPACethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)C.CC
InChIInChI=1S/C8H13NO.C2H6/c1-5-7(9)8(10-4)6(2)3;1-2/h5H,1-2,9H2,3-4H3;1-2H3/b8-7-;
InChIKeyLEBWRFVFTGFPSJ-CFYXSCKTSA-N
MW169.27 g/mol
LogP2.59
Rot. Bonds3

About ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine

ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine (PubChem CID 144610849) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Nameethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
PubChem CID144610849
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/OC)C(=C)C.CC
InChIInChI=1S/C8H13NO.C2H6/c1-5-7(9)8(10-4)6(2)3;1-2/h5H,1-2,9H2,3-4H3;1-2H3/b8-7-;
InChIKeyLEBWRFVFTGFPSJ-CFYXSCKTSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.59
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 ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine (CID 144610849) is ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine is C=C/C(N)=C(/OC)C(=C)C.CC.
What is the InChIKey of ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
The InChIKey is LEBWRFVFTGFPSJ-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-5-7(9)8(10-4)6(2)3;1-2/h5H,1-2,9H2,3-4H3;1-2H3/b8-7-;.
What are the key properties of ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine?
ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine has a molecular weight of 169.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-methoxy-5-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144610849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).