5-[2-aminoethyl(benzyl)amino]pentan-1-ol

C14H24N2O — CID 62229179

IUPAC5-[2-aminoethyl(benzyl)amino]pentan-1-ol
SMILESNCCN(CCCCCO)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c15-9-11-16(10-5-2-6-12-17)13-14-7-3-1-4-8-14/h1,3-4,7-8,17H,2,5-6,9-13,15H2
InChIKeyLMHIYOHTUAICPC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.61
Rot. Bonds9

About 5-[2-aminoethyl(benzyl)amino]pentan-1-ol

5-[2-aminoethyl(benzyl)amino]pentan-1-ol (PubChem CID 62229179) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[2-aminoethyl(benzyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-aminoethyl(benzyl)amino]pentan-1-ol
PubChem CID62229179
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[2-aminoethyl(benzyl)amino]pentan-1-ol
SMILESNCCN(CCCCCO)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c15-9-11-16(10-5-2-6-12-17)13-14-7-3-1-4-8-14/h1,3-4,7-8,17H,2,5-6,9-13,15H2
InChIKeyLMHIYOHTUAICPC-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22067437
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)hexane-1,6-diamine;hydrochloride
CID 54598955
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(benzyl)amino]pentan-1-ol?
The IUPAC name of 5-[2-aminoethyl(benzyl)amino]pentan-1-ol (CID 62229179) is 5-[2-aminoethyl(benzyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2-aminoethyl(benzyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2-aminoethyl(benzyl)amino]pentan-1-ol is NCCN(CCCCCO)Cc1ccccc1.
What is the InChIKey of 5-[2-aminoethyl(benzyl)amino]pentan-1-ol?
The InChIKey is LMHIYOHTUAICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-9-11-16(10-5-2-6-12-17)13-14-7-3-1-4-8-14/h1,3-4,7-8,17H,2,5-6,9-13,15H2.
What are the key properties of 5-[2-aminoethyl(benzyl)amino]pentan-1-ol?
5-[2-aminoethyl(benzyl)amino]pentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(benzyl)amino]pentan-1-ol is sourced from PubChem (CID 62229179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).