3-[amino(methyl)amino]propyl-methylazanium

C5H16N3+ — CID 140709532

IUPAC3-[amino(methyl)amino]propyl-methylazanium
SMILESC[NH2+]CCCN(C)N
InChIInChI=1S/C5H15N3/c1-7-4-3-5-8(2)6/h7H,3-6H2,1-2H3/p+1
InChIKeyANUAPLHZWUUERI-UHFFFAOYSA-O
MW118.20 g/mol
LogP-1.62
Rot. Bonds4

About 3-[amino(methyl)amino]propyl-methylazanium

3-[amino(methyl)amino]propyl-methylazanium (PubChem CID 140709532) has the molecular formula C5H16N3+ and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-[amino(methyl)amino]propyl-methylazanium.

Molecular Properties

Compound Name3-[amino(methyl)amino]propyl-methylazanium
PubChem CID140709532
Molecular FormulaC5H16N3+
Molecular Weight118.20 g/mol
Exact Mass118.13
IUPAC Name3-[amino(methyl)amino]propyl-methylazanium
SMILESC[NH2+]CCCN(C)N
InChIInChI=1S/C5H15N3/c1-7-4-3-5-8(2)6/h7H,3-6H2,1-2H3/p+1
InChIKeyANUAPLHZWUUERI-UHFFFAOYSA-O
XLogP-1.62
TPSA45.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-octadecylhydrazine;hydrochloride
CID 174580894
1-methyl-1-(3-propan-2-yloxypropyl)hydrazine
CID 130815808
3-(2,2-difluorocyclopropyl)propyl-methylazanium
CID 167468570
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936
1-(3-iodobutyl)-1-methylhydrazine
CID 87084809
1,1-dimethylhydrazine
CID 5976
azane;N,N-dimethylethanamine
CID 91593223
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
N-[2-[amino(methyl)amino]ethyl-(methylamino)amino]hydroxylamine
CID 163974814
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
1-(1-azabicyclo[2.1.0]pentan-3-ylmethyl)-1-methylhydrazine
CID 163805847
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417

Frequently Asked Questions

What is the IUPAC name of 3-[amino(methyl)amino]propyl-methylazanium?
The IUPAC name of 3-[amino(methyl)amino]propyl-methylazanium (CID 140709532) is 3-[amino(methyl)amino]propyl-methylazanium.
What is the SMILES notation for 3-[amino(methyl)amino]propyl-methylazanium?
The canonical SMILES for 3-[amino(methyl)amino]propyl-methylazanium is C[NH2+]CCCN(C)N.
What is the InChIKey of 3-[amino(methyl)amino]propyl-methylazanium?
The InChIKey is ANUAPLHZWUUERI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H15N3/c1-7-4-3-5-8(2)6/h7H,3-6H2,1-2H3/p+1.
What are the key properties of 3-[amino(methyl)amino]propyl-methylazanium?
3-[amino(methyl)amino]propyl-methylazanium has a molecular weight of 118.20 g/mol, XLogP of -1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(methyl)amino]propyl-methylazanium is sourced from PubChem (CID 140709532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).