(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride

C9H20ClNO — CID 10856349

IUPAC(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride
SMILESC[NH+](C)CCC(=O)C(C)(C)C.[Cl-]
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H
InChIKeyNHRXYRRVZFAGOW-UHFFFAOYSA-N
MW193.72 g/mol
LogP-2.86
Rot. Bonds3

About (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride

(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride (PubChem CID 10856349) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride
PubChem CID10856349
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride
SMILESC[NH+](C)CCC(=O)C(C)(C)C.[Cl-]
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H
InChIKeyNHRXYRRVZFAGOW-UHFFFAOYSA-N
XLogP-2.86
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-2.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride?
The IUPAC name of (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride (CID 10856349) is (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride.
What is the SMILES notation for (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride?
The canonical SMILES for (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride is C[NH+](C)CCC(=O)C(C)(C)C.[Cl-].
What is the InChIKey of (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride?
The InChIKey is NHRXYRRVZFAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,3)8(11)6-7-10(4)5;/h6-7H2,1-5H3;1H.
What are the key properties of (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride?
(4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride has a molecular weight of 193.72 g/mol, XLogP of -2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-oxopentyl)-dimethylazanium chloride is sourced from PubChem (CID 10856349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).