dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride

C12H21ClN2O — CID 10377193

IUPACdimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride
SMILESCCC[N+](C)(C)CCOc1cccnc1.[Cl-]
InChIInChI=1S/C12H21N2O.ClH/c1-4-8-14(2,3)9-10-15-12-6-5-7-13-11-12;/h5-7,11H,4,8-10H2,1-3H3;1H/q+1;/p-1
InChIKeyIDKBDXHBMHFHRG-UHFFFAOYSA-M
MW244.77 g/mol
LogP-1.05
Rot. Bonds6

About dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride

dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride (PubChem CID 10377193) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride
PubChem CID10377193
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Namedimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride
SMILESCCC[N+](C)(C)CCOc1cccnc1.[Cl-]
InChIInChI=1S/C12H21N2O.ClH/c1-4-8-14(2,3)9-10-15-12-6-5-7-13-11-12;/h5-7,11H,4,8-10H2,1-3H3;1H/q+1;/p-1
InChIKeyIDKBDXHBMHFHRG-UHFFFAOYSA-M
XLogP-1.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride?
The IUPAC name of dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride (CID 10377193) is dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride.
What is the SMILES notation for dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride?
The canonical SMILES for dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride is CCC[N+](C)(C)CCOc1cccnc1.[Cl-].
What is the InChIKey of dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride?
The InChIKey is IDKBDXHBMHFHRG-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H21N2O.ClH/c1-4-8-14(2,3)9-10-15-12-6-5-7-13-11-12;/h5-7,11H,4,8-10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride?
dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride has a molecular weight of 244.77 g/mol, XLogP of -1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propyl-(2-pyridin-3-yloxyethyl)azanium chloride is sourced from PubChem (CID 10377193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).