2-(methylamino)hexadecan-1-ol

C17H37NO — CID 118696061

IUPAC2-(methylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)NC
InChIInChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16-19)18-2/h17-19H,3-16H2,1-2H3
InChIKeyGLPHYUAIFZSJIW-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.66
Rot. Bonds15

About 2-(methylamino)hexadecan-1-ol

2-(methylamino)hexadecan-1-ol (PubChem CID 118696061) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-(methylamino)hexadecan-1-ol.

Molecular Properties

Compound Name2-(methylamino)hexadecan-1-ol
PubChem CID118696061
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-(methylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)NC
InChIInChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16-19)18-2/h17-19H,3-16H2,1-2H3
InChIKeyGLPHYUAIFZSJIW-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methylamino)hexadecan-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

3-(methylamino)nonan-1-ol
CID 65235222
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
2-(ethylamino)nonan-1-ol
CID 61050713
N-methyloctadecan-3-amine
CID 150460863
N-methylundecan-4-amine
CID 60996531
N-methyldecan-3-amine
CID 60996977
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
(2S)-6-amino-2-(methylamino)hexan-1-ol
CID 59831454
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
2-(butan-2-ylamino)undecan-1-ol
CID 114078301

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)hexadecan-1-ol?
The IUPAC name of 2-(methylamino)hexadecan-1-ol (CID 118696061) is 2-(methylamino)hexadecan-1-ol.
What is the SMILES notation for 2-(methylamino)hexadecan-1-ol?
The canonical SMILES for 2-(methylamino)hexadecan-1-ol is CCCCCCCCCCCCCCC(CO)NC.
What is the InChIKey of 2-(methylamino)hexadecan-1-ol?
The InChIKey is GLPHYUAIFZSJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(16-19)18-2/h17-19H,3-16H2,1-2H3.
What are the key properties of 2-(methylamino)hexadecan-1-ol?
2-(methylamino)hexadecan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.66, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)hexadecan-1-ol is sourced from PubChem (CID 118696061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).