3-(diethylamino)-3-methylundecan-4-ol

C16H35NO — CID 79064620

IUPAC3-(diethylamino)-3-methylundecan-4-ol
SMILESCCCCCCCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H35NO/c1-6-10-11-12-13-14-15(18)16(5,7-2)17(8-3)9-4/h15,18H,6-14H2,1-5H3
InChIKeyHCZFFVHSYWGLEX-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.22
Rot. Bonds11

About 3-(diethylamino)-3-methylundecan-4-ol

3-(diethylamino)-3-methylundecan-4-ol (PubChem CID 79064620) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-(diethylamino)-3-methylundecan-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methylundecan-4-ol
PubChem CID79064620
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-(diethylamino)-3-methylundecan-4-ol
SMILESCCCCCCCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H35NO/c1-6-10-11-12-13-14-15(18)16(5,7-2)17(8-3)9-4/h15,18H,6-14H2,1-5H3
InChIKeyHCZFFVHSYWGLEX-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-(diethylamino)-3,7,7-trimethyloctan-4-ol
CID 79062806
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
3-(diethylamino)-3,7-dimethyloct-7-en-4-ol
CID 114473935
3-N,3-N-diethyl-3-methyl-4-N-propyldecane-3,4-diamine
CID 79069155
3-N,3-N-diethyl-3-methyl-4-N-propylundecane-3,4-diamine
CID 79058558
3-methyldodecane-3,4-diol
CID 103448703
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3,3-diethyldecan-4-ol
CID 150278197
3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methylundecan-4-ol?
The IUPAC name of 3-(diethylamino)-3-methylundecan-4-ol (CID 79064620) is 3-(diethylamino)-3-methylundecan-4-ol.
What is the SMILES notation for 3-(diethylamino)-3-methylundecan-4-ol?
The canonical SMILES for 3-(diethylamino)-3-methylundecan-4-ol is CCCCCCCC(O)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-methylundecan-4-ol?
The InChIKey is HCZFFVHSYWGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-10-11-12-13-14-15(18)16(5,7-2)17(8-3)9-4/h15,18H,6-14H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methylundecan-4-ol?
3-(diethylamino)-3-methylundecan-4-ol has a molecular weight of 257.46 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methylundecan-4-ol is sourced from PubChem (CID 79064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).