3-[(benzylamino)methyl]undecan-1-ol

C19H33NO — CID 22067495

IUPAC3-[(benzylamino)methyl]undecan-1-ol
SMILESCCCCCCCCC(CCO)CNCc1ccccc1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-8-13-19(14-15-21)17-20-16-18-11-9-7-10-12-18/h7,9-12,19-21H,2-6,8,13-17H2,1H3
InChIKeyZAJHCSVIQHJWOA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.53
Rot. Bonds13

About 3-[(benzylamino)methyl]undecan-1-ol

3-[(benzylamino)methyl]undecan-1-ol (PubChem CID 22067495) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[(benzylamino)methyl]undecan-1-ol.

Molecular Properties

Compound Name3-[(benzylamino)methyl]undecan-1-ol
PubChem CID22067495
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[(benzylamino)methyl]undecan-1-ol
SMILESCCCCCCCCC(CCO)CNCc1ccccc1
InChIInChI=1S/C19H33NO/c1-2-3-4-5-6-8-13-19(14-15-21)17-20-16-18-11-9-7-10-12-18/h7,9-12,19-21H,2-6,8,13-17H2,1H3
InChIKeyZAJHCSVIQHJWOA-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(benzylamino)methyl]undecan-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 3-[(benzylamino)methyl]undecan-1-ol?
The IUPAC name of 3-[(benzylamino)methyl]undecan-1-ol (CID 22067495) is 3-[(benzylamino)methyl]undecan-1-ol.
What is the SMILES notation for 3-[(benzylamino)methyl]undecan-1-ol?
The canonical SMILES for 3-[(benzylamino)methyl]undecan-1-ol is CCCCCCCCC(CCO)CNCc1ccccc1.
What is the InChIKey of 3-[(benzylamino)methyl]undecan-1-ol?
The InChIKey is ZAJHCSVIQHJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-2-3-4-5-6-8-13-19(14-15-21)17-20-16-18-11-9-7-10-12-18/h7,9-12,19-21H,2-6,8,13-17H2,1H3.
What are the key properties of 3-[(benzylamino)methyl]undecan-1-ol?
3-[(benzylamino)methyl]undecan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.53, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzylamino)methyl]undecan-1-ol is sourced from PubChem (CID 22067495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).