2-aminobutyl(trimethyl)azanium

C7H19N2+ — CID 57196894

IUPAC2-aminobutyl(trimethyl)azanium
SMILESCCC(N)C[N+](C)(C)C
InChIInChI=1S/C7H19N2/c1-5-7(8)6-9(2,3)4/h7H,5-6,8H2,1-4H3/q+1
InChIKeyNQVJQRMKHCKIIV-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.43
Rot. Bonds3

About 2-aminobutyl(trimethyl)azanium

2-aminobutyl(trimethyl)azanium (PubChem CID 57196894) has the molecular formula C7H19N2+ and a molecular weight of 131.24 g/mol. Its IUPAC name is 2-aminobutyl(trimethyl)azanium.

Molecular Properties

Compound Name2-aminobutyl(trimethyl)azanium
PubChem CID57196894
Molecular FormulaC7H19N2+
Molecular Weight131.24 g/mol
Exact Mass131.15
IUPAC Name2-aminobutyl(trimethyl)azanium
SMILESCCC(N)C[N+](C)(C)C
InChIInChI=1S/C7H19N2/c1-5-7(8)6-9(2,3)4/h7H,5-6,8H2,1-4H3/q+1
InChIKeyNQVJQRMKHCKIIV-UHFFFAOYSA-N
XLogP0.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-dihydroxybutan-1-amine oxide
CID 174545440
pentan-3-amine;hydroiodide
CID 173436389
[(2R)-2-aminopropyl]-trimethylazanium
CID 89262982
(5R)-heptane-3,5-diamine
CID 118180613
2-ethylbutyl(trimethyl)azanium hydroxide
CID 135203842
hexane-3,4-diamine
CID 12656175
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
tetradecane-3,6,9,12-tetramine
CID 140993886
(2S)-1-chlorobutan-2-amine
CID 130722137
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
[2-amino-4-(2-methylpropoxy)-4-oxobutyl]-trimethylazanium
CID 11087487

Frequently Asked Questions

What is the IUPAC name of 2-aminobutyl(trimethyl)azanium?
The IUPAC name of 2-aminobutyl(trimethyl)azanium (CID 57196894) is 2-aminobutyl(trimethyl)azanium.
What is the SMILES notation for 2-aminobutyl(trimethyl)azanium?
The canonical SMILES for 2-aminobutyl(trimethyl)azanium is CCC(N)C[N+](C)(C)C.
What is the InChIKey of 2-aminobutyl(trimethyl)azanium?
The InChIKey is NQVJQRMKHCKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2/c1-5-7(8)6-9(2,3)4/h7H,5-6,8H2,1-4H3/q+1.
What are the key properties of 2-aminobutyl(trimethyl)azanium?
2-aminobutyl(trimethyl)azanium has a molecular weight of 131.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutyl(trimethyl)azanium is sourced from PubChem (CID 57196894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).