(4-amino-4-methyliminobutyl)-trimethylazanium

C8H20N3+ — CID 158143123

IUPAC(4-amino-4-methyliminobutyl)-trimethylazanium
SMILESC/N=C(\N)CCC[N+](C)(C)C
InChIInChI=1S/C8H20N3/c1-10-8(9)6-5-7-11(2,3)4/h5-7H2,1-4H3,(H2,9,10)/q+1
InChIKeyFUEMSZSSKAIBKL-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.46
Rot. Bonds4

About (4-amino-4-methyliminobutyl)-trimethylazanium

(4-amino-4-methyliminobutyl)-trimethylazanium (PubChem CID 158143123) has the molecular formula C8H20N3+ and a molecular weight of 158.27 g/mol. Its IUPAC name is (4-amino-4-methyliminobutyl)-trimethylazanium.

Molecular Properties

Compound Name(4-amino-4-methyliminobutyl)-trimethylazanium
PubChem CID158143123
Molecular FormulaC8H20N3+
Molecular Weight158.27 g/mol
Exact Mass158.17
IUPAC Name(4-amino-4-methyliminobutyl)-trimethylazanium
SMILESC/N=C(\N)CCC[N+](C)(C)C
InChIInChI=1S/C8H20N3/c1-10-8(9)6-5-7-11(2,3)4/h5-7H2,1-4H3,(H2,9,10)/q+1
InChIKeyFUEMSZSSKAIBKL-UHFFFAOYSA-N
XLogP0.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N',5,5-trimethylhexanimidamide
CID 59463982
1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide
CID 87184350
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
3-aminopropyl(trimethyl)azanium;hydrochloride
CID 173485800
3-hydroxypropyl(trimethyl)azanium;hydrochloride
CID 88716804
butyl(trimethyl)azanium;methanol
CID 159541051
17-aminoheptadecyl(trimethyl)azanium
CID 155769924

Frequently Asked Questions

What is the IUPAC name of (4-amino-4-methyliminobutyl)-trimethylazanium?
The IUPAC name of (4-amino-4-methyliminobutyl)-trimethylazanium (CID 158143123) is (4-amino-4-methyliminobutyl)-trimethylazanium.
What is the SMILES notation for (4-amino-4-methyliminobutyl)-trimethylazanium?
The canonical SMILES for (4-amino-4-methyliminobutyl)-trimethylazanium is C/N=C(\N)CCC[N+](C)(C)C.
What is the InChIKey of (4-amino-4-methyliminobutyl)-trimethylazanium?
The InChIKey is FUEMSZSSKAIBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N3/c1-10-8(9)6-5-7-11(2,3)4/h5-7H2,1-4H3,(H2,9,10)/q+1.
What are the key properties of (4-amino-4-methyliminobutyl)-trimethylazanium?
(4-amino-4-methyliminobutyl)-trimethylazanium has a molecular weight of 158.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-methyliminobutyl)-trimethylazanium is sourced from PubChem (CID 158143123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).