dimethyl(pentan-3-yl)azanium chloride

C7H18ClN — CID 172706957

IUPACdimethyl(pentan-3-yl)azanium chloride
SMILESCCC(CC)[NH+](C)C.[Cl-]
InChIInChI=1S/C7H17N.ClH/c1-5-7(6-2)8(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyDSHKXOXFCMCZQH-UHFFFAOYSA-N
MW151.68 g/mol
LogP-2.68
Rot. Bonds3

About dimethyl(pentan-3-yl)azanium chloride

dimethyl(pentan-3-yl)azanium chloride (PubChem CID 172706957) has the molecular formula C7H18ClN and a molecular weight of 151.68 g/mol. Its IUPAC name is dimethyl(pentan-3-yl)azanium chloride.

Molecular Properties

Compound Namedimethyl(pentan-3-yl)azanium chloride
PubChem CID172706957
Molecular FormulaC7H18ClN
Molecular Weight151.68 g/mol
Exact Mass151.11
IUPAC Namedimethyl(pentan-3-yl)azanium chloride
SMILESCCC(CC)[NH+](C)C.[Cl-]
InChIInChI=1S/C7H17N.ClH/c1-5-7(6-2)8(3)4;/h7H,5-6H2,1-4H3;1H
InChIKeyDSHKXOXFCMCZQH-UHFFFAOYSA-N
XLogP-2.68
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

butan-2-ylaluminum(2+) dichloride
CID 18763964
1-hydroxypropyl(dimethyl)azanium bromide
CID 90237065
2-methylbutane;yttrium
CID 157105537
(3S)-N-[methyl(oxido)azaniumyl]oxyhexan-3-amine oxide
CID 163952866
diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride
CID 21189215
pentan-3-ylaluminum(2+) diiodide
CID 88842100
1-aminoethyl(dimethyl)azanium chloride
CID 18943178
hydride;pentan-3-ylaluminum(2+)
CID 175014050
octakis(trimethylazanium);octachloride
CID 139213235
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
[(2S)-2-azaniumylbutyl]-dimethylazanium
CID 6998882

Frequently Asked Questions

What is the IUPAC name of dimethyl(pentan-3-yl)azanium chloride?
The IUPAC name of dimethyl(pentan-3-yl)azanium chloride (CID 172706957) is dimethyl(pentan-3-yl)azanium chloride.
What is the SMILES notation for dimethyl(pentan-3-yl)azanium chloride?
The canonical SMILES for dimethyl(pentan-3-yl)azanium chloride is CCC(CC)[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(pentan-3-yl)azanium chloride?
The InChIKey is DSHKXOXFCMCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.ClH/c1-5-7(6-2)8(3)4;/h7H,5-6H2,1-4H3;1H.
What are the key properties of dimethyl(pentan-3-yl)azanium chloride?
dimethyl(pentan-3-yl)azanium chloride has a molecular weight of 151.68 g/mol, XLogP of -2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(pentan-3-yl)azanium chloride is sourced from PubChem (CID 172706957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).