1-(dimethylamino)pentadecan-1-ol

C17H37NO — CID 87151804

IUPAC1-(dimethylamino)pentadecan-1-ol
SMILESCCCCCCCCCCCCCCC(O)N(C)C
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h17,19H,4-16H2,1-3H3
InChIKeyRUAHWSRNPZPEOV-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.96
Rot. Bonds14

About 1-(dimethylamino)pentadecan-1-ol

1-(dimethylamino)pentadecan-1-ol (PubChem CID 87151804) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(dimethylamino)pentadecan-1-ol.

Molecular Properties

Compound Name1-(dimethylamino)pentadecan-1-ol
PubChem CID87151804
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name1-(dimethylamino)pentadecan-1-ol
SMILESCCCCCCCCCCCCCCC(O)N(C)C
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h17,19H,4-16H2,1-3H3
InChIKeyRUAHWSRNPZPEOV-UHFFFAOYSA-N
XLogP4.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)pentadecan-1-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

1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
1-[[bis(1-hydroxyheptyl)amino]-(1-hydroxyoctyl)amino]octan-1-ol
CID 87743534
1-(dimethylamino)decane-1,10-diol
CID 139819105
1-[ethyl(hydroxy)amino]heptan-1-ol
CID 174750340
3-(dimethylamino)decan-2-ol
CID 87744632
1-phosphanylhexadecan-1-ol
CID 174908486
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
1-phosphanyltridecan-1-ol
CID 174895856
icosan-9-ol
CID 11983377
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)pentadecan-1-ol?
The IUPAC name of 1-(dimethylamino)pentadecan-1-ol (CID 87151804) is 1-(dimethylamino)pentadecan-1-ol.
What is the SMILES notation for 1-(dimethylamino)pentadecan-1-ol?
The canonical SMILES for 1-(dimethylamino)pentadecan-1-ol is CCCCCCCCCCCCCCC(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)pentadecan-1-ol?
The InChIKey is RUAHWSRNPZPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h17,19H,4-16H2,1-3H3.
What are the key properties of 1-(dimethylamino)pentadecan-1-ol?
1-(dimethylamino)pentadecan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.96, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pentadecan-1-ol is sourced from PubChem (CID 87151804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).