(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol

C11H19NO — CID 142310856

IUPAC(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol
SMILESC=C(O)/C(=C/C=C(/C)CCC)NC
InChIInChI=1S/C11H19NO/c1-5-6-9(2)7-8-11(12-4)10(3)13/h7-8,12-13H,3,5-6H2,1-2,4H3/b9-7-,11-8-
InChIKeyXIIXJOTXEHLCNL-JLUCNAMBSA-N
MW181.28 g/mol
LogP2.91
Rot. Bonds5

About (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol

(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol (PubChem CID 142310856) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol
PubChem CID142310856
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol
SMILESC=C(O)/C(=C/C=C(/C)CCC)NC
InChIInChI=1S/C11H19NO/c1-5-6-9(2)7-8-11(12-4)10(3)13/h7-8,12-13H,3,5-6H2,1-2,4H3/b9-7-,11-8-
InChIKeyXIIXJOTXEHLCNL-JLUCNAMBSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

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CID 89219015
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CID 142310954
N-methylmethanamine;pent-1-en-2-ol
CID 143709294
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
4-methyl-7-methylidenedec-4-ene
CID 173283032
(3E,5Z)-6-methyl-N-[(3S)-7-methyloctan-3-yl]nona-1,3,5-trien-3-amine
CID 135278146
4,7-dimethylidenedecane
CID 543440
(Z)-5-ethylidene-3-methyloct-2-ene
CID 143683733
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
1-iodo-2-methylpent-1-ene
CID 73232688

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol (CID 142310856) is (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol is C=C(O)/C(=C/C=C(/C)CCC)NC.
What is the InChIKey of (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol?
The InChIKey is XIIXJOTXEHLCNL-JLUCNAMBSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-9(2)7-8-11(12-4)10(3)13/h7-8,12-13H,3,5-6H2,1-2,4H3/b9-7-,11-8-.
What are the key properties of (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol?
(3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-methyl-3-(methylamino)nona-1,3,5-trien-2-ol is sourced from PubChem (CID 142310856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).