1-[5-(benzylamino)pentylamino]ethanol

C14H24N2O — CID 23217639

IUPAC1-[5-(benzylamino)pentylamino]ethanol
SMILESCC(O)NCCCCCNCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(17)16-11-7-3-6-10-15-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17H,3,6-7,10-12H2,1H3
InChIKeyNDLIOYHNZWRXTP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds9

About 1-[5-(benzylamino)pentylamino]ethanol

1-[5-(benzylamino)pentylamino]ethanol (PubChem CID 23217639) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[5-(benzylamino)pentylamino]ethanol.

Molecular Properties

Compound Name1-[5-(benzylamino)pentylamino]ethanol
PubChem CID23217639
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[5-(benzylamino)pentylamino]ethanol
SMILESCC(O)NCCCCCNCc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(17)16-11-7-3-6-10-15-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17H,3,6-7,10-12H2,1H3
InChIKeyNDLIOYHNZWRXTP-UHFFFAOYSA-N
XLogP1.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-propan-2-ylpropane-1,3-diamine
CID 61150632
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
CID 90351733
CID 90351733
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-12-chlorododecan-1-amine
CID 175007443
N-benzyl-5-silylpentan-1-amine
CID 123625500
6-(benzylamino)-2-hydroxyhexanoic acid
CID 42613185

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)pentylamino]ethanol?
The IUPAC name of 1-[5-(benzylamino)pentylamino]ethanol (CID 23217639) is 1-[5-(benzylamino)pentylamino]ethanol.
What is the SMILES notation for 1-[5-(benzylamino)pentylamino]ethanol?
The canonical SMILES for 1-[5-(benzylamino)pentylamino]ethanol is CC(O)NCCCCCNCc1ccccc1.
What is the InChIKey of 1-[5-(benzylamino)pentylamino]ethanol?
The InChIKey is NDLIOYHNZWRXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(17)16-11-7-3-6-10-15-12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-17H,3,6-7,10-12H2,1H3.
What are the key properties of 1-[5-(benzylamino)pentylamino]ethanol?
1-[5-(benzylamino)pentylamino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)pentylamino]ethanol is sourced from PubChem (CID 23217639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).