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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Related Compounds

(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-amine;(3E)-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 143431971
5-Methoxy-2-methylbenzene-4-id-1-amine;yttrium
CID 60070103
4-Methoxy-2,6-dimethylbenzene-5-id-1-amine;yttrium
CID 60083203
(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
4-Methoxy-1-methylcyclohepta-2,4,6-trien-1-amine
CID 123856084
6-Methoxy-2-methyl-3-methylidenehepta-4,6-dien-2-amine
CID 123947578
(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
(3Z,5E,7Z)-6-methoxy-2,2-dimethylnona-3,5,7-trien-3-amine
CID 129028276

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).