2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol

C9H20N2O — CID 135224244

IUPAC2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol
SMILESC/C=C(\C)N(CCO)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-5-8(2)11(6-7-12)9(3,4)10/h5,12H,6-7,10H2,1-4H3/b8-5+
InChIKeyYOEIYVNZYWRVCS-VMPITWQZSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds4

About 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol

2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol (PubChem CID 135224244) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol
PubChem CID135224244
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol
SMILESC/C=C(\C)N(CCO)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-5-8(2)11(6-7-12)9(3,4)10/h5,12H,6-7,10H2,1-4H3/b8-5+
InChIKeyYOEIYVNZYWRVCS-VMPITWQZSA-N
XLogP0.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol?
The IUPAC name of 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol (CID 135224244) is 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol.
What is the SMILES notation for 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol?
The canonical SMILES for 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol is C/C=C(\C)N(CCO)C(C)(C)N.
What is the InChIKey of 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol?
The InChIKey is YOEIYVNZYWRVCS-VMPITWQZSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-8(2)11(6-7-12)9(3,4)10/h5,12H,6-7,10H2,1-4H3/b8-5+.
What are the key properties of 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol?
2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminopropan-2-yl-[(E)-but-2-en-2-yl]amino]ethanol is sourced from PubChem (CID 135224244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).