12-(benzylamino)dodecan-1-ol

C19H33NO — CID 44630169

IUPAC12-(benzylamino)dodecan-1-ol
SMILESOCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H33NO/c21-17-13-8-6-4-2-1-3-5-7-12-16-20-18-19-14-10-9-11-15-19/h9-11,14-15,20-21H,1-8,12-13,16-18H2
InChIKeyNHJKHPPLADLFHH-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.67
Rot. Bonds14

About 12-(benzylamino)dodecan-1-ol

12-(benzylamino)dodecan-1-ol (PubChem CID 44630169) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 12-(benzylamino)dodecan-1-ol.

Molecular Properties

Compound Name12-(benzylamino)dodecan-1-ol
PubChem CID44630169
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name12-(benzylamino)dodecan-1-ol
SMILESOCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H33NO/c21-17-13-8-6-4-2-1-3-5-7-12-16-20-18-19-14-10-9-11-15-19/h9-11,14-15,20-21H,1-8,12-13,16-18H2
InChIKeyNHJKHPPLADLFHH-UHFFFAOYSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-(benzylamino)dodecan-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

Frequently Asked Questions

What is the IUPAC name of 12-(benzylamino)dodecan-1-ol?
The IUPAC name of 12-(benzylamino)dodecan-1-ol (CID 44630169) is 12-(benzylamino)dodecan-1-ol.
What is the SMILES notation for 12-(benzylamino)dodecan-1-ol?
The canonical SMILES for 12-(benzylamino)dodecan-1-ol is OCCCCCCCCCCCCNCc1ccccc1.
What is the InChIKey of 12-(benzylamino)dodecan-1-ol?
The InChIKey is NHJKHPPLADLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c21-17-13-8-6-4-2-1-3-5-7-12-16-20-18-19-14-10-9-11-15-19/h9-11,14-15,20-21H,1-8,12-13,16-18H2.
What are the key properties of 12-(benzylamino)dodecan-1-ol?
12-(benzylamino)dodecan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(benzylamino)dodecan-1-ol is sourced from PubChem (CID 44630169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).