3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol

C11H23NO — CID 166723290

IUPAC3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol
SMILESC=C(O)C(C)C(CCNC)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(6-7-12-5)9(3)10(4)13/h8-9,11-13H,4,6-7H2,1-3,5H3
InChIKeyKKGHQTISHQQJSY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds6

About 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol

3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol (PubChem CID 166723290) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol
PubChem CID166723290
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol
SMILESC=C(O)C(C)C(CCNC)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)11(6-7-12-5)9(3)10(4)13/h8-9,11-13H,4,6-7H2,1-3,5H3
InChIKeyKKGHQTISHQQJSY-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methylpiperidin-3-yl)ethenol
CID 58228679
3-Piperidin-4-ylprop-1-en-2-ol
CID 69437068
2-(5-Methylidenepiperidin-3-yl)propan-2-ol
CID 123237499
3,6-Dimethyl-4-[2-(methylamino)ethyl]hept-1-en-2-ol
CID 135194697
6-Amino-5-methylhex-1-en-2-ol;ethane
CID 145524608
4-ethyl-5-methoxy-N-methylhex-5-en-1-amine
CID 146429868
4-(Azetidin-3-yl)but-1-en-2-ol
CID 176931147
1-[(5R)-5-methylpiperidin-3-yl]ethenol
CID 176954918
Ethane;1-(5-methylpiperidin-3-yl)ethenol
CID 178104466
1-(5-Methylpiperidin-3-yl)ethenol
CID 178104467

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol?
The IUPAC name of 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol (CID 166723290) is 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol.
What is the SMILES notation for 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol?
The canonical SMILES for 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol is C=C(O)C(C)C(CCNC)C(C)C.
What is the InChIKey of 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol?
The InChIKey is KKGHQTISHQQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)11(6-7-12-5)9(3)10(4)13/h8-9,11-13H,4,6-7H2,1-3,5H3.
What are the key properties of 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol?
3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-(methylamino)ethyl]hex-1-en-2-ol is sourced from PubChem (CID 166723290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).