3-aminopropan-1-ol;ethenol

C5H13NO2 — CID 87392158

IUPAC3-aminopropan-1-ol;ethenol
SMILESC=CO.NCCCO
InChIInChI=1S/C3H9NO.C2H4O/c4-2-1-3-5;1-2-3/h5H,1-4H2;2-3H,1H2
InChIKeyWEMYCWCOJQFWDN-UHFFFAOYSA-N
MW119.16 g/mol
LogP0.02
Rot. Bonds2

About 3-aminopropan-1-ol;ethenol

3-aminopropan-1-ol;ethenol (PubChem CID 87392158) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 3-aminopropan-1-ol;ethenol.

Molecular Properties

Compound Name3-aminopropan-1-ol;ethenol
PubChem CID87392158
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name3-aminopropan-1-ol;ethenol
SMILESC=CO.NCCCO
InChIInChI=1S/C3H9NO.C2H4O/c4-2-1-3-5;1-2-3/h5H,1-4H2;2-3H,1H2
InChIKeyWEMYCWCOJQFWDN-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-aminopropan-1-ol;ethane
CID 91172061
sodium;3-aminopropan-1-ol;hydride
CID 173357693
36-aminohexatriacontan-1-ol
CID 87686190
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
CID 174295610
butan-1-ol;ethenol
CID 174734131
2-aminoethanol;butane-1,4-diol
CID 135347340
6-aminohexan-1-ol;hydrochloride
CID 21259387
3-[3-aminopropyl(prop-2-enyl)amino]propan-1-ol
CID 175006752
7-amino-4-methylideneheptan-1-ol
CID 174330037
(Z)-10-aminodec-5-en-1-ol
CID 10910016
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276
2-(15N)azanylethanol
CID 10329242

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;ethenol?
The IUPAC name of 3-aminopropan-1-ol;ethenol (CID 87392158) is 3-aminopropan-1-ol;ethenol.
What is the SMILES notation for 3-aminopropan-1-ol;ethenol?
The canonical SMILES for 3-aminopropan-1-ol;ethenol is C=CO.NCCCO.
What is the InChIKey of 3-aminopropan-1-ol;ethenol?
The InChIKey is WEMYCWCOJQFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.C2H4O/c4-2-1-3-5;1-2-3/h5H,1-4H2;2-3H,1H2.
What are the key properties of 3-aminopropan-1-ol;ethenol?
3-aminopropan-1-ol;ethenol has a molecular weight of 119.16 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;ethenol is sourced from PubChem (CID 87392158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).