1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride

C8H18ClNO2 — CID 175260697

IUPAC1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride
SMILESC=CCNC(O)COCCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-9-8(10)7-11-6-4-2;/h3,8-10H,1,4-7H2,2H3;1H
InChIKeyYSGPYRYBSPDMTQ-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.93
Rot. Bonds7

About 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride

1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride (PubChem CID 175260697) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride.

Molecular Properties

Compound Name1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride
PubChem CID175260697
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride
SMILESC=CCNC(O)COCCC.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-3-5-9-8(10)7-11-6-4-2;/h3,8-10H,1,4-7H2,2H3;1H
InChIKeyYSGPYRYBSPDMTQ-UHFFFAOYSA-N
XLogP0.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.93
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride?
The IUPAC name of 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride (CID 175260697) is 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride.
What is the SMILES notation for 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride?
The canonical SMILES for 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride is C=CCNC(O)COCCC.Cl.
What is the InChIKey of 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride?
The InChIKey is YSGPYRYBSPDMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-3-5-9-8(10)7-11-6-4-2;/h3,8-10H,1,4-7H2,2H3;1H.
What are the key properties of 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride?
1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-2-propoxyethanol;hydrochloride is sourced from PubChem (CID 175260697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).