5-[4-(benzylamino)butylamino]pentan-1-ol

C16H28N2O — CID 22006369

IUPAC5-[4-(benzylamino)butylamino]pentan-1-ol
SMILESOCCCCCNCCCCNCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-14-8-2-5-11-17-12-6-7-13-18-15-16-9-3-1-4-10-16/h1,3-4,9-10,17-19H,2,5-8,11-15H2
InChIKeyKGXAXFWQEXHGIA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.31
Rot. Bonds12

About 5-[4-(benzylamino)butylamino]pentan-1-ol

5-[4-(benzylamino)butylamino]pentan-1-ol (PubChem CID 22006369) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-[4-(benzylamino)butylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(benzylamino)butylamino]pentan-1-ol
PubChem CID22006369
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-[4-(benzylamino)butylamino]pentan-1-ol
SMILESOCCCCCNCCCCNCc1ccccc1
InChIInChI=1S/C16H28N2O/c19-14-8-2-5-11-17-12-6-7-13-18-15-16-9-3-1-4-10-16/h1,3-4,9-10,17-19H,2,5-8,11-15H2
InChIKeyKGXAXFWQEXHGIA-UHFFFAOYSA-N
XLogP2.31
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(benzylamino)butylamino]pentan-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

N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211513
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N'-benzyl-N-(3-silylpropyl)tridecane-1,13-diamine
CID 164972132
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N'-benzyl-N-(2-chloroethyl)hexane-1,6-diamine;dihydrochloride
CID 14086599
CID 90351733
CID 90351733
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-12-chlorododecan-1-amine
CID 175007443

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)butylamino]pentan-1-ol?
The IUPAC name of 5-[4-(benzylamino)butylamino]pentan-1-ol (CID 22006369) is 5-[4-(benzylamino)butylamino]pentan-1-ol.
What is the SMILES notation for 5-[4-(benzylamino)butylamino]pentan-1-ol?
The canonical SMILES for 5-[4-(benzylamino)butylamino]pentan-1-ol is OCCCCCNCCCCNCc1ccccc1.
What is the InChIKey of 5-[4-(benzylamino)butylamino]pentan-1-ol?
The InChIKey is KGXAXFWQEXHGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-14-8-2-5-11-17-12-6-7-13-18-15-16-9-3-1-4-10-16/h1,3-4,9-10,17-19H,2,5-8,11-15H2.
What are the key properties of 5-[4-(benzylamino)butylamino]pentan-1-ol?
5-[4-(benzylamino)butylamino]pentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.31, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)butylamino]pentan-1-ol is sourced from PubChem (CID 22006369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).