2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine

C14H35N3O2 — CID 165397482

IUPAC2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine
SMILESCCC(C)C(C)N.CCN(CCO)CCCNCO
InChIInChI=1S/C8H20N2O2.C6H15N/c1-2-10(6-7-11)5-3-4-9-8-12;1-4-5(2)6(3)7/h9,11-12H,2-8H2,1H3;5-6H,4,7H2,1-3H3
InChIKeyUETRATGERZGXSV-UHFFFAOYSA-N
MW277.45 g/mol
LogP0.61
Rot. Bonds10

About 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine

2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine (PubChem CID 165397482) has the molecular formula C14H35N3O2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine.

Molecular Properties

Compound Name2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine
PubChem CID165397482
Molecular FormulaC14H35N3O2
Molecular Weight277.45 g/mol
Exact Mass277.27
IUPAC Name2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine
SMILESCCC(C)C(C)N.CCN(CCO)CCCNCO
InChIInChI=1S/C8H20N2O2.C6H15N/c1-2-10(6-7-11)5-3-4-9-8-12;1-4-5(2)6(3)7/h9,11-12H,2-8H2,1H3;5-6H,4,7H2,1-3H3
InChIKeyUETRATGERZGXSV-UHFFFAOYSA-N
XLogP0.61
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
N'-ethyl-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62421595
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[ethyl(nonyl)amino]ethanol
CID 62021397
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine?
The IUPAC name of 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine (CID 165397482) is 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine.
What is the SMILES notation for 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine?
The canonical SMILES for 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine is CCC(C)C(C)N.CCN(CCO)CCCNCO.
What is the InChIKey of 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine?
The InChIKey is UETRATGERZGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2.C6H15N/c1-2-10(6-7-11)5-3-4-9-8-12;1-4-5(2)6(3)7/h9,11-12H,2-8H2,1H3;5-6H,4,7H2,1-3H3.
What are the key properties of 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine?
2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 0.61, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine is sourced from PubChem (CID 165397482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).