3-(dimethylamino)-3-methyltetradecan-4-ol

C17H37NO — CID 79064165

IUPAC3-(dimethylamino)-3-methyltetradecan-4-ol
SMILESCCCCCCCCCCC(O)C(C)(CC)N(C)C
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-15-16(19)17(3,7-2)18(4)5/h16,19H,6-15H2,1-5H3
InChIKeyXBFKMSOGIRJWRU-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.61
Rot. Bonds12

About 3-(dimethylamino)-3-methyltetradecan-4-ol

3-(dimethylamino)-3-methyltetradecan-4-ol (PubChem CID 79064165) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyltetradecan-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyltetradecan-4-ol
PubChem CID79064165
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-(dimethylamino)-3-methyltetradecan-4-ol
SMILESCCCCCCCCCCC(O)C(C)(CC)N(C)C
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-15-16(19)17(3,7-2)18(4)5/h16,19H,6-15H2,1-5H3
InChIKeyXBFKMSOGIRJWRU-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-3-methyltetradecan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
3-methyldodecane-3,4-diol
CID 103448703
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3,3-diethyldecan-4-ol
CID 150278197
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-hydroxy-2,2-dimethylnonanenitrile
CID 15156105
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyltetradecan-4-ol?
The IUPAC name of 3-(dimethylamino)-3-methyltetradecan-4-ol (CID 79064165) is 3-(dimethylamino)-3-methyltetradecan-4-ol.
What is the SMILES notation for 3-(dimethylamino)-3-methyltetradecan-4-ol?
The canonical SMILES for 3-(dimethylamino)-3-methyltetradecan-4-ol is CCCCCCCCCCC(O)C(C)(CC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyltetradecan-4-ol?
The InChIKey is XBFKMSOGIRJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-14-15-16(19)17(3,7-2)18(4)5/h16,19H,6-15H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyltetradecan-4-ol?
3-(dimethylamino)-3-methyltetradecan-4-ol has a molecular weight of 271.49 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyltetradecan-4-ol is sourced from PubChem (CID 79064165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).