dimethyl(3-methylbutyl)azanium

C7H18N+ — CID 23277953

IUPACdimethyl(3-methylbutyl)azanium
SMILESCC(C)CC[NH+](C)C
InChIInChI=1S/C7H17N/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/p+1
InChIKeyKOOQJINBDNZUTB-UHFFFAOYSA-O
MW116.23 g/mol
LogP0.18
Rot. Bonds3

About dimethyl(3-methylbutyl)azanium

dimethyl(3-methylbutyl)azanium (PubChem CID 23277953) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is dimethyl(3-methylbutyl)azanium.

Molecular Properties

Compound Namedimethyl(3-methylbutyl)azanium
PubChem CID23277953
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Namedimethyl(3-methylbutyl)azanium
SMILESCC(C)CC[NH+](C)C
InChIInChI=1S/C7H17N/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/p+1
InChIKeyKOOQJINBDNZUTB-UHFFFAOYSA-O
XLogP0.18
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3-methylbutyl)azanium?
The IUPAC name of dimethyl(3-methylbutyl)azanium (CID 23277953) is dimethyl(3-methylbutyl)azanium.
What is the SMILES notation for dimethyl(3-methylbutyl)azanium?
The canonical SMILES for dimethyl(3-methylbutyl)azanium is CC(C)CC[NH+](C)C.
What is the InChIKey of dimethyl(3-methylbutyl)azanium?
The InChIKey is KOOQJINBDNZUTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N/c1-7(2)5-6-8(3)4/h7H,5-6H2,1-4H3/p+1.
What are the key properties of dimethyl(3-methylbutyl)azanium?
dimethyl(3-methylbutyl)azanium has a molecular weight of 116.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-methylbutyl)azanium is sourced from PubChem (CID 23277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).