1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol

C8H18N2O2 — CID 145112170

IUPAC1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)NCCOCCN
InChIInChI=1S/C8H18N2O2/c1-7(2)8(11)10-4-6-12-5-3-9/h8,10-11H,1,3-6,9H2,2H3
InChIKeyDWNKEXPLXXCIAM-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.55
Rot. Bonds7

About 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol

1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol (PubChem CID 145112170) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
PubChem CID145112170
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)NCCOCCN
InChIInChI=1S/C8H18N2O2/c1-7(2)8(11)10-4-6-12-5-3-9/h8,10-11H,1,3-6,9H2,2H3
InChIKeyDWNKEXPLXXCIAM-UHFFFAOYSA-N
XLogP-0.55
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89977933
(Z)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89978099
2-[(1-Hydroxy-2-methylprop-2-enyl)amino]butan-1-ol
CID 139476349
2-Methyl-1-[3-(methylamino)propylamino]prop-2-en-1-ol
CID 139515539
1-(Methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 142163657
1-[[2-Hydroxy-2-(2-hydroxypropylamino)ethyl]amino]-2-methylprop-2-en-1-ol
CID 156285865
2-[(1-Hydroxy-2-methylprop-2-enyl)amino]ethyl propanoate
CID 166676598
2-[2-(2-Methylprop-2-enylamino)ethoxy]ethanol
CID 60689343
2-[2-(Ethylaminomethyl)prop-2-enyl-(2-methoxyethyl)amino]ethanol
CID 103071268
2-[2-Methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103071271
3-Methoxy-2-(2-methylprop-2-enylamino)propan-1-ol
CID 106190545
2,2-Dimethyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-1-ol
CID 114465893

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol (CID 145112170) is 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol is C=C(C)C(O)NCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol?
The InChIKey is DWNKEXPLXXCIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2)8(11)10-4-6-12-5-3-9/h8,10-11H,1,3-6,9H2,2H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol?
1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 145112170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).