2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol

C7H16N2O2 — CID 88835054

IUPAC2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol
SMILESNC/C=C\N(CCO)CCO
InChIInChI=1S/C7H16N2O2/c8-2-1-3-9(4-6-10)5-7-11/h1,3,10-11H,2,4-8H2/b3-1-
InChIKeyBTBGGSAYZFBYSS-IWQZZHSRSA-N
MW160.22 g/mol
LogP-1.25
Rot. Bonds6

About 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol

2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 88835054) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID88835054
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol
SMILESNC/C=C\N(CCO)CCO
InChIInChI=1S/C7H16N2O2/c8-2-1-3-9(4-6-10)5-7-11/h1,3,10-11H,2,4-8H2/b3-1-
InChIKeyBTBGGSAYZFBYSS-IWQZZHSRSA-N
XLogP-1.25
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol (CID 88835054) is 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol is NC/C=C\N(CCO)CCO.
What is the InChIKey of 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BTBGGSAYZFBYSS-IWQZZHSRSA-N. The full InChI is InChI=1S/C7H16N2O2/c8-2-1-3-9(4-6-10)5-7-11/h1,3,10-11H,2,4-8H2/b3-1-.
What are the key properties of 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol?
2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 160.22 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-aminoprop-1-enyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 88835054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).