2-(2-aminoethylamino)-1-ethoxyethanol

C6H16N2O2 — CID 57110947

IUPAC2-(2-aminoethylamino)-1-ethoxyethanol
SMILESCCOC(O)CNCCN
InChIInChI=1S/C6H16N2O2/c1-2-10-6(9)5-8-4-3-7/h6,8-9H,2-5,7H2,1H3
InChIKeyQUMJXDNIKRVRDU-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.11
Rot. Bonds6

About 2-(2-aminoethylamino)-1-ethoxyethanol

2-(2-aminoethylamino)-1-ethoxyethanol (PubChem CID 57110947) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-ethoxyethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-ethoxyethanol
PubChem CID57110947
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name2-(2-aminoethylamino)-1-ethoxyethanol
SMILESCCOC(O)CNCCN
InChIInChI=1S/C6H16N2O2/c1-2-10-6(9)5-8-4-3-7/h6,8-9H,2-5,7H2,1H3
InChIKeyQUMJXDNIKRVRDU-UHFFFAOYSA-N
XLogP-1.11
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
8-amino-1-ethoxyoctan-1-ol
CID 89136202
1-(2-aminoethylamino)-4-[2-(2-aminoethylamino)ethylamino]butane-2,3-diol
CID 88677444
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
CID 20591048
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
3-(2-aminoethylamino)-1-ethoxypropan-1-ol;1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
CID 91078542

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1-ethoxyethanol?
The IUPAC name of 2-(2-aminoethylamino)-1-ethoxyethanol (CID 57110947) is 2-(2-aminoethylamino)-1-ethoxyethanol.
What is the SMILES notation for 2-(2-aminoethylamino)-1-ethoxyethanol?
The canonical SMILES for 2-(2-aminoethylamino)-1-ethoxyethanol is CCOC(O)CNCCN.
What is the InChIKey of 2-(2-aminoethylamino)-1-ethoxyethanol?
The InChIKey is QUMJXDNIKRVRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-2-10-6(9)5-8-4-3-7/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-(2-aminoethylamino)-1-ethoxyethanol?
2-(2-aminoethylamino)-1-ethoxyethanol has a molecular weight of 148.21 g/mol, XLogP of -1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-ethoxyethanol is sourced from PubChem (CID 57110947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).