(6Z)-1-(methylamino)nona-6,8-dien-4-ol

C10H19NO — CID 167004821

IUPAC(6Z)-1-(methylamino)nona-6,8-dien-4-ol
SMILESC=C/C=C\CC(O)CCCNC
InChIInChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h3-5,10-12H,1,6-9H2,2H3/b5-4-
InChIKeyVXXLLPBEJBNRRC-PLNGDYQASA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds7

About (6Z)-1-(methylamino)nona-6,8-dien-4-ol

(6Z)-1-(methylamino)nona-6,8-dien-4-ol (PubChem CID 167004821) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (6Z)-1-(methylamino)nona-6,8-dien-4-ol.

Molecular Properties

Compound Name(6Z)-1-(methylamino)nona-6,8-dien-4-ol
PubChem CID167004821
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(6Z)-1-(methylamino)nona-6,8-dien-4-ol
SMILESC=C/C=C\CC(O)CCCNC
InChIInChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h3-5,10-12H,1,6-9H2,2H3/b5-4-
InChIKeyVXXLLPBEJBNRRC-PLNGDYQASA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-undeca-1,3-dien-6-ol
CID 15579179
(5E)-octa-5,7-dien-3-ol
CID 12576352
(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
N-methyl-4-prop-2-enylhept-6-en-1-amine;hydrobromide
CID 173358524
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 171119152
(2S)-6-(methylamino)hexane-1,2-diol
CID 89283618
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513
(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
CID 156581779
octa-1,5,7-trien-3-ol
CID 57193976
(4R)-8-methylnon-1-en-4-ol
CID 11672703
(2S)-3-methyl-6-(methylamino)hexan-2-ol
CID 172612880

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-(methylamino)nona-6,8-dien-4-ol?
The IUPAC name of (6Z)-1-(methylamino)nona-6,8-dien-4-ol (CID 167004821) is (6Z)-1-(methylamino)nona-6,8-dien-4-ol.
What is the SMILES notation for (6Z)-1-(methylamino)nona-6,8-dien-4-ol?
The canonical SMILES for (6Z)-1-(methylamino)nona-6,8-dien-4-ol is C=C/C=C\CC(O)CCCNC.
What is the InChIKey of (6Z)-1-(methylamino)nona-6,8-dien-4-ol?
The InChIKey is VXXLLPBEJBNRRC-PLNGDYQASA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-7-10(12)8-6-9-11-2/h3-5,10-12H,1,6-9H2,2H3/b5-4-.
What are the key properties of (6Z)-1-(methylamino)nona-6,8-dien-4-ol?
(6Z)-1-(methylamino)nona-6,8-dien-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-(methylamino)nona-6,8-dien-4-ol is sourced from PubChem (CID 167004821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).