amino-methyl-(methylamino)-propan-2-ylazanium

C5H16N3+ — CID 163498643

IUPACamino-methyl-(methylamino)-propan-2-ylazanium
SMILESCN[N+](C)(N)C(C)C
InChIInChI=1S/C5H16N3/c1-5(2)8(4,6)7-3/h5,7H,6H2,1-4H3/q+1
InChIKeyRKMRRJLMKLLAMI-UHFFFAOYSA-N
MW118.20 g/mol
LogP-0.15
Rot. Bonds2

About amino-methyl-(methylamino)-propan-2-ylazanium

amino-methyl-(methylamino)-propan-2-ylazanium (PubChem CID 163498643) has the molecular formula C5H16N3+ and a molecular weight of 118.20 g/mol. Its IUPAC name is amino-methyl-(methylamino)-propan-2-ylazanium.

Molecular Properties

Compound Nameamino-methyl-(methylamino)-propan-2-ylazanium
PubChem CID163498643
Molecular FormulaC5H16N3+
Molecular Weight118.20 g/mol
Exact Mass118.13
IUPAC Nameamino-methyl-(methylamino)-propan-2-ylazanium
SMILESCN[N+](C)(N)C(C)C
InChIInChI=1S/C5H16N3/c1-5(2)8(4,6)7-3/h5,7H,6H2,1-4H3/q+1
InChIKeyRKMRRJLMKLLAMI-UHFFFAOYSA-N
XLogP-0.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

amino-methyl-phosphanyl-propan-2-ylazanium;zinc
CID 163842705
tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261
tetra(propan-2-yl)azanium fluoride
CID 18764598
trimethyl(1-sulfanylethyl)azanium
CID 12234
amino-diethyl-(methylamino)azanium
CID 54443798
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861
methyl-bis(methylamino)-[[methyl-bis(methylamino)azaniumyl]amino]azanium
CID 163458356
[3,5-bis[dimethyl(propan-2-yl)azaniumyl]phenyl]-dimethyl-propan-2-ylazanium
CID 87111475
2-methylpropane;sulfane
CID 20976886
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
1-aminoethanethiol;gold
CID 87377143
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
CID 23633949

Frequently Asked Questions

What is the IUPAC name of amino-methyl-(methylamino)-propan-2-ylazanium?
The IUPAC name of amino-methyl-(methylamino)-propan-2-ylazanium (CID 163498643) is amino-methyl-(methylamino)-propan-2-ylazanium.
What is the SMILES notation for amino-methyl-(methylamino)-propan-2-ylazanium?
The canonical SMILES for amino-methyl-(methylamino)-propan-2-ylazanium is CN[N+](C)(N)C(C)C.
What is the InChIKey of amino-methyl-(methylamino)-propan-2-ylazanium?
The InChIKey is RKMRRJLMKLLAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N3/c1-5(2)8(4,6)7-3/h5,7H,6H2,1-4H3/q+1.
What are the key properties of amino-methyl-(methylamino)-propan-2-ylazanium?
amino-methyl-(methylamino)-propan-2-ylazanium has a molecular weight of 118.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-(methylamino)-propan-2-ylazanium is sourced from PubChem (CID 163498643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).