[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium

C9H23N2O+ — CID 23394690

IUPAC[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)CC(O)CN(C)C
InChIInChI=1S/C9H22N2O/c1-5-11(6-2)8-9(12)7-10(3)4/h9,12H,5-8H2,1-4H3/p+1
InChIKeyHNBXDOLDRLALPT-UHFFFAOYSA-O
MW175.30 g/mol
LogP-1.17
Rot. Bonds6

About [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium

[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium (PubChem CID 23394690) has the molecular formula C9H23N2O+ and a molecular weight of 175.30 g/mol. Its IUPAC name is [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium.

Molecular Properties

Compound Name[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium
PubChem CID23394690
Molecular FormulaC9H23N2O+
Molecular Weight175.30 g/mol
Exact Mass175.18
IUPAC Name[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)CC(O)CN(C)C
InChIInChI=1S/C9H22N2O/c1-5-11(6-2)8-9(12)7-10(3)4/h9,12H,5-8H2,1-4H3/p+1
InChIKeyHNBXDOLDRLALPT-UHFFFAOYSA-O
XLogP-1.17
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium?
The IUPAC name of [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium (CID 23394690) is [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium.
What is the SMILES notation for [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium?
The canonical SMILES for [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium is CC[NH+](CC)CC(O)CN(C)C.
What is the InChIKey of [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium?
The InChIKey is HNBXDOLDRLALPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H22N2O/c1-5-11(6-2)8-9(12)7-10(3)4/h9,12H,5-8H2,1-4H3/p+1.
What are the key properties of [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium?
[3-(dimethylamino)-2-hydroxypropyl]-diethylazanium has a molecular weight of 175.30 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-hydroxypropyl]-diethylazanium is sourced from PubChem (CID 23394690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).