1-amino-2-(prop-2-enylamino)ethanol

C5H12N2O — CID 174652566

IUPAC1-amino-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(N)O
InChIInChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h2,5,7-8H,1,3-4,6H2
InChIKeyZFMNAEKFYSWPEW-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.96
Rot. Bonds4

About 1-amino-2-(prop-2-enylamino)ethanol

1-amino-2-(prop-2-enylamino)ethanol (PubChem CID 174652566) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-amino-2-(prop-2-enylamino)ethanol.

Molecular Properties

Compound Name1-amino-2-(prop-2-enylamino)ethanol
PubChem CID174652566
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-amino-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(N)O
InChIInChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h2,5,7-8H,1,3-4,6H2
InChIKeyZFMNAEKFYSWPEW-UHFFFAOYSA-N
XLogP-0.96
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-amino-1-(prop-2-enylamino)butan-2-ol
CID 112511949
amino-(prop-2-enylamino)methanol
CID 126627121
(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
CID 155145394
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
CID 90065128
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
ethane;3-(prop-2-enylamino)propane-1,2-diol;prop-1-yne
CID 142202246
(3S,4R,5S)-1,3,4,5-tetrahydroxy-6-(prop-2-enylamino)hexan-2-one
CID 88787004
propanoic acid;1-N-[1-(prop-2-enylamino)propan-2-yl]propane-1,2-diamine
CID 88654756
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(prop-2-enylamino)ethanol?
The IUPAC name of 1-amino-2-(prop-2-enylamino)ethanol (CID 174652566) is 1-amino-2-(prop-2-enylamino)ethanol.
What is the SMILES notation for 1-amino-2-(prop-2-enylamino)ethanol?
The canonical SMILES for 1-amino-2-(prop-2-enylamino)ethanol is C=CCNCC(N)O.
What is the InChIKey of 1-amino-2-(prop-2-enylamino)ethanol?
The InChIKey is ZFMNAEKFYSWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-3-7-4-5(6)8/h2,5,7-8H,1,3-4,6H2.
What are the key properties of 1-amino-2-(prop-2-enylamino)ethanol?
1-amino-2-(prop-2-enylamino)ethanol has a molecular weight of 116.16 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(prop-2-enylamino)ethanol is sourced from PubChem (CID 174652566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).