7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol

C13H25NO — CID 23458142

IUPAC7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol
SMILESC=CC(O)CCCC(C=C)CCN(C)C
InChIInChI=1S/C13H25NO/c1-5-12(10-11-14(3)4)8-7-9-13(15)6-2/h5-6,12-13,15H,1-2,7-11H2,3-4H3
InChIKeyZNKUGJWOLMYKDD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds9

About 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol

7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol (PubChem CID 23458142) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol
PubChem CID23458142
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol
SMILESC=CC(O)CCCC(C=C)CCN(C)C
InChIInChI=1S/C13H25NO/c1-5-12(10-11-14(3)4)8-7-9-13(15)6-2/h5-6,12-13,15H,1-2,7-11H2,3-4H3
InChIKeyZNKUGJWOLMYKDD-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol?
The IUPAC name of 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol (CID 23458142) is 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol.
What is the SMILES notation for 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol?
The canonical SMILES for 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol is C=CC(O)CCCC(C=C)CCN(C)C.
What is the InChIKey of 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol?
The InChIKey is ZNKUGJWOLMYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-12(10-11-14(3)4)8-7-9-13(15)6-2/h5-6,12-13,15H,1-2,7-11H2,3-4H3.
What are the key properties of 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol?
7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethyl]nona-1,8-dien-3-ol is sourced from PubChem (CID 23458142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).