(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine

C20H34N2O — CID 161489072

IUPAC(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine
SMILESC=C/C=C\C=C\CCC(O)NC.C=C/C=C\C=C\CCCNC
InChIInChI=1S/C10H17NO.C10H17N/c1-3-4-5-6-7-8-9-10(12)11-2;1-3-4-5-6-7-8-9-10-11-2/h3-7,10-12H,1,8-9H2,2H3;3-7,11H,1,8-10H2,2H3/b2*5-4-,7-6+
InChIKeyWFJFSBOTVZQMKW-SWYKPZPSSA-N
MW318.51 g/mol
LogP3.89
Rot. Bonds12

About (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine

(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine (PubChem CID 161489072) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine.

Molecular Properties

Compound Name(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine
PubChem CID161489072
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine
SMILESC=C/C=C\C=C\CCC(O)NC.C=C/C=C\C=C\CCCNC
InChIInChI=1S/C10H17NO.C10H17N/c1-3-4-5-6-7-8-9-10(12)11-2;1-3-4-5-6-7-8-9-10-11-2/h3-7,10-12H,1,8-9H2,2H3;3-7,11H,1,8-10H2,2H3/b2*5-4-,7-6+
InChIKeyWFJFSBOTVZQMKW-SWYKPZPSSA-N
XLogP3.89
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine?
The IUPAC name of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine (CID 161489072) is (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine.
What is the SMILES notation for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine?
The canonical SMILES for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine is C=C/C=C\C=C\CCC(O)NC.C=C/C=C\C=C\CCCNC.
What is the InChIKey of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine?
The InChIKey is WFJFSBOTVZQMKW-SWYKPZPSSA-N. The full InChI is InChI=1S/C10H17NO.C10H17N/c1-3-4-5-6-7-8-9-10(12)11-2;1-3-4-5-6-7-8-9-10-11-2/h3-7,10-12H,1,8-9H2,2H3;3-7,11H,1,8-10H2,2H3/b2*5-4-,7-6+.
What are the key properties of (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine?
(4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine has a molecular weight of 318.51 g/mol, XLogP of 3.89, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-1-(methylamino)nona-4,6,8-trien-1-ol;(4E,6Z)-N-methylnona-4,6,8-trien-1-amine is sourced from PubChem (CID 161489072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).