(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol

C11H21NO — CID 89038763

IUPAC(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
SMILESC=CC(/C=C(/C)C(O)CCC)NC
InChIInChI=1S/C11H21NO/c1-5-7-11(13)9(3)8-10(6-2)12-4/h6,8,10-13H,2,5,7H2,1,3-4H3/b9-8-
InChIKeyWYYXXJWYJGWHLN-HJWRWDBZSA-N
MW183.29 g/mol
LogP1.87
Rot. Bonds6

About (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol

(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol (PubChem CID 89038763) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol.

Molecular Properties

Compound Name(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
PubChem CID89038763
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
SMILESC=CC(/C=C(/C)C(O)CCC)NC
InChIInChI=1S/C11H21NO/c1-5-7-11(13)9(3)8-10(6-2)12-4/h6,8,10-13H,2,5,7H2,1,3-4H3/b9-8-
InChIKeyWYYXXJWYJGWHLN-HJWRWDBZSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol?
The IUPAC name of (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol (CID 89038763) is (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol.
What is the SMILES notation for (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol?
The canonical SMILES for (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol is C=CC(/C=C(/C)C(O)CCC)NC.
What is the InChIKey of (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol?
The InChIKey is WYYXXJWYJGWHLN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-11(13)9(3)8-10(6-2)12-4/h6,8,10-13H,2,5,7H2,1,3-4H3/b9-8-.
What are the key properties of (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol?
(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol is sourced from PubChem (CID 89038763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).