3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol

C14H25NO — CID 54364222

IUPAC3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
SMILESC=CCN(C)CC(C)=CCCC(C)=CCO
InChIInChI=1S/C14H25NO/c1-5-10-15(4)12-14(3)8-6-7-13(2)9-11-16/h5,8-9,16H,1,6-7,10-12H2,2-4H3
InChIKeyUOPZSWLIFXCITO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds8

About 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol

3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol (PubChem CID 54364222) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
PubChem CID54364222
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol
SMILESC=CCN(C)CC(C)=CCCC(C)=CCO
InChIInChI=1S/C14H25NO/c1-5-10-15(4)12-14(3)8-6-7-13(2)9-11-16/h5,8-9,16H,1,6-7,10-12H2,2-4H3
InChIKeyUOPZSWLIFXCITO-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
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 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol?
The IUPAC name of 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol (CID 54364222) is 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol.
What is the SMILES notation for 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol?
The canonical SMILES for 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol is C=CCN(C)CC(C)=CCCC(C)=CCO.
What is the InChIKey of 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol?
The InChIKey is UOPZSWLIFXCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-10-15(4)12-14(3)8-6-7-13(2)9-11-16/h5,8-9,16H,1,6-7,10-12H2,2-4H3.
What are the key properties of 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol?
3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-8-[methyl(prop-2-enyl)amino]octa-2,6-dien-1-ol is sourced from PubChem (CID 54364222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).