6-(benzylamino)hexan-1-ol

C13H21NO — CID 15133217

IUPAC6-(benzylamino)hexan-1-ol
SMILESOCCCCCCNCc1ccccc1
InChIInChI=1S/C13H21NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKeyILKSKQBXMQDBFT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.33
Rot. Bonds8

About 6-(benzylamino)hexan-1-ol

6-(benzylamino)hexan-1-ol (PubChem CID 15133217) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-(benzylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(benzylamino)hexan-1-ol
PubChem CID15133217
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-(benzylamino)hexan-1-ol
SMILESOCCCCCCNCc1ccccc1
InChIInChI=1S/C13H21NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKeyILKSKQBXMQDBFT-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(benzylamino)hexan-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

Benzylethanolamine
CID 4348
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
N-Butylbenzylamine
CID 75467
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
N-(2-hydroxyethyl)benzenecarbothioamide
CID 2731056
Benzyl(2-methoxyethyl)amine
CID 2396989
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
3-(Benzylamino)propanol
CID 78448
2-(Benzylamino)propan-1-ol
CID 138873
(1-Benzylpiperidin-4-yl)methanol
CID 736802

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)hexan-1-ol?
The IUPAC name of 6-(benzylamino)hexan-1-ol (CID 15133217) is 6-(benzylamino)hexan-1-ol.
What is the SMILES notation for 6-(benzylamino)hexan-1-ol?
The canonical SMILES for 6-(benzylamino)hexan-1-ol is OCCCCCCNCc1ccccc1.
What is the InChIKey of 6-(benzylamino)hexan-1-ol?
The InChIKey is ILKSKQBXMQDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2.
What are the key properties of 6-(benzylamino)hexan-1-ol?
6-(benzylamino)hexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)hexan-1-ol is sourced from PubChem (CID 15133217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).