2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride

C7H21Cl2NO2 — CID 174894072

IUPAC2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
SMILESCCCN(CC)CCO.Cl.Cl.O
InChIInChI=1S/C7H17NO.2ClH.H2O/c1-3-5-8(4-2)6-7-9;;;/h9H,3-7H2,1-2H3;2*1H;1H2
InChIKeyJNTZAPZWJVRLSO-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.73
Rot. Bonds5

About 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride

2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride (PubChem CID 174894072) has the molecular formula C7H21Cl2NO2 and a molecular weight of 222.16 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
PubChem CID174894072
Molecular FormulaC7H21Cl2NO2
Molecular Weight222.16 g/mol
Exact Mass221.09
IUPAC Name2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
SMILESCCCN(CC)CCO.Cl.Cl.O
InChIInChI=1S/C7H17NO.2ClH.H2O/c1-3-5-8(4-2)6-7-9;;;/h9H,3-7H2,1-2H3;2*1H;1H2
InChIKeyJNTZAPZWJVRLSO-UHFFFAOYSA-N
XLogP0.73
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
2-[ethyl(nonyl)amino]ethanol
CID 62021397
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
CID 159789530
bis(2-(diethylamino)ethanol);bis(iodocopper(1+))
CID 6397704

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride?
The IUPAC name of 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride (CID 174894072) is 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride.
What is the SMILES notation for 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride?
The canonical SMILES for 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride is CCCN(CC)CCO.Cl.Cl.O.
What is the InChIKey of 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride?
The InChIKey is JNTZAPZWJVRLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.2ClH.H2O/c1-3-5-8(4-2)6-7-9;;;/h9H,3-7H2,1-2H3;2*1H;1H2.
What are the key properties of 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride?
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride has a molecular weight of 222.16 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride is sourced from PubChem (CID 174894072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).