1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol

C7H18N2O2 — CID 87855990

IUPAC1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol
SMILESCCNCCN(O)CC(C)O
InChIInChI=1S/C7H18N2O2/c1-3-8-4-5-9(11)6-7(2)10/h7-8,10-11H,3-6H2,1-2H3
InChIKeyKODIEXLSSGRGCY-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.33
Rot. Bonds6

About 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol

1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol (PubChem CID 87855990) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol
PubChem CID87855990
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol
SMILESCCNCCN(O)CC(C)O
InChIInChI=1S/C7H18N2O2/c1-3-8-4-5-9(11)6-7(2)10/h7-8,10-11H,3-6H2,1-2H3
InChIKeyKODIEXLSSGRGCY-UHFFFAOYSA-N
XLogP-0.33
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
CID 118243560
N-[2-(ethylamino)ethyl]-N-hydroxyformamide
CID 145487421
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682
N-ethyl-N',N'-dihydroxypropane-1,3-diamine
CID 87304503
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-(ethylamino)propan-2-ol
CID 55011512
N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
CID 115205666
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
N,N-dimethylmethanamine;N-ethylpropan-1-amine
CID 118663401
N-ethyl-N',N'-dihydroxyhexane-1,6-diamine
CID 139878296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol?
The IUPAC name of 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol (CID 87855990) is 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol.
What is the SMILES notation for 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol?
The canonical SMILES for 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol is CCNCCN(O)CC(C)O.
What is the InChIKey of 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol?
The InChIKey is KODIEXLSSGRGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-3-8-4-5-9(11)6-7(2)10/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol?
1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol has a molecular weight of 162.23 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl-hydroxyamino]propan-2-ol is sourced from PubChem (CID 87855990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).