2-(2-aminoethylamino)-2-ethoxyethanol

C6H16N2O2 — CID 22141723

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

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

2-(2-aminoethylamino)-2-ethoxyethanol (PubChem CID 22141723) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2-ethoxyethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2-ethoxyethanol
PubChem CID22141723
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name2-(2-aminoethylamino)-2-ethoxyethanol
SMILESCCOC(CO)NCCN
InChIInChI=1S/C6H16N2O2/c1-2-10-6(5-9)8-4-3-7/h6,8-9H,2-5,7H2,1H3
InChIKeyGCMQHFKDINCZMP-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminoethylamino)ethylamino]-2-butoxyethanol
CID 87840812
2-ethoxy-2-(methylamino)ethanol
CID 57110099
2-(2-aminoethylamino)-1-ethoxyethanol
CID 57110947
1-ethoxy-N-methylethane-1,2-diamine
CID 146966482
2-(2-butoxyethylamino)-2-(2-hydroxyethoxy)ethanol
CID 18945936
1-amino-2-(2-aminoethylamino)propane-1,3-diol
CID 91174752
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(2-aminoethylamino)butanamide
CID 62900229
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2-ethoxyethanol?
The IUPAC name of 2-(2-aminoethylamino)-2-ethoxyethanol (CID 22141723) is 2-(2-aminoethylamino)-2-ethoxyethanol.
What is the SMILES notation for 2-(2-aminoethylamino)-2-ethoxyethanol?
The canonical SMILES for 2-(2-aminoethylamino)-2-ethoxyethanol is CCOC(CO)NCCN.
What is the InChIKey of 2-(2-aminoethylamino)-2-ethoxyethanol?
The InChIKey is GCMQHFKDINCZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-2-10-6(5-9)8-4-3-7/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-(2-aminoethylamino)-2-ethoxyethanol?
2-(2-aminoethylamino)-2-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)-2-ethoxyethanol is sourced from PubChem (CID 22141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).