2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol

C13H31N5O — CID 58426265

IUPAC2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol
SMILESCCCNCCN1CN(C)CN(CCNCCO)C1
InChIInChI=1S/C13H31N5O/c1-3-4-14-5-8-17-11-16(2)12-18(13-17)9-6-15-7-10-19/h14-15,19H,3-13H2,1-2H3
InChIKeyVXNHXOWASHIFLL-UHFFFAOYSA-N
MW273.42 g/mol
LogP-1.01
Rot. Bonds10

About 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol

2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol (PubChem CID 58426265) has the molecular formula C13H31N5O and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol
PubChem CID58426265
Molecular FormulaC13H31N5O
Molecular Weight273.42 g/mol
Exact Mass273.25
IUPAC Name2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol
SMILESCCCNCCN1CN(C)CN(CCNCCO)C1
InChIInChI=1S/C13H31N5O/c1-3-4-14-5-8-17-11-16(2)12-18(13-17)9-6-15-7-10-19/h14-15,19H,3-13H2,1-2H3
InChIKeyVXNHXOWASHIFLL-UHFFFAOYSA-N
XLogP-1.01
TPSA54.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane
CID 158757173
2-(propylamino)ethanol;hydrobromide
CID 175488073
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
3-[3-(3-hydroxypropyl)-5-methyl-1,3,5-triazinan-1-yl]propan-1-ol
CID 139643715
propane-1,3-diol;N-propylpropan-1-amine
CID 87073043
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]propan-1-amine
CID 62204668
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol?
The IUPAC name of 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol (CID 58426265) is 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol?
The canonical SMILES for 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol is CCCNCCN1CN(C)CN(CCNCCO)C1.
What is the InChIKey of 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol?
The InChIKey is VXNHXOWASHIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O/c1-3-4-14-5-8-17-11-16(2)12-18(13-17)9-6-15-7-10-19/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol?
2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol has a molecular weight of 273.42 g/mol, XLogP of -1.01, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-5-[2-(propylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol is sourced from PubChem (CID 58426265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).