amino-dimethyl-propylazanium

C5H15N2+ — CID 21430996

IUPACamino-dimethyl-propylazanium
SMILESCCC[N+](C)(C)N
InChIInChI=1S/C5H15N2/c1-4-5-7(2,3)6/h4-6H2,1-3H3/q+1
InChIKeyVTVMHNWDKOWJLY-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.35
Rot. Bonds2

About amino-dimethyl-propylazanium

amino-dimethyl-propylazanium (PubChem CID 21430996) has the molecular formula C5H15N2+ and a molecular weight of 103.19 g/mol. Its IUPAC name is amino-dimethyl-propylazanium.

Molecular Properties

Compound Nameamino-dimethyl-propylazanium
PubChem CID21430996
Molecular FormulaC5H15N2+
Molecular Weight103.19 g/mol
Exact Mass103.12
IUPAC Nameamino-dimethyl-propylazanium
SMILESCCC[N+](C)(C)N
InChIInChI=1S/C5H15N2/c1-4-5-7(2,3)6/h4-6H2,1-3H3/q+1
InChIKeyVTVMHNWDKOWJLY-UHFFFAOYSA-N
XLogP0.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of amino-dimethyl-propylazanium?
The IUPAC name of amino-dimethyl-propylazanium (CID 21430996) is amino-dimethyl-propylazanium.
What is the SMILES notation for amino-dimethyl-propylazanium?
The canonical SMILES for amino-dimethyl-propylazanium is CCC[N+](C)(C)N.
What is the InChIKey of amino-dimethyl-propylazanium?
The InChIKey is VTVMHNWDKOWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2/c1-4-5-7(2,3)6/h4-6H2,1-3H3/q+1.
What are the key properties of amino-dimethyl-propylazanium?
amino-dimethyl-propylazanium has a molecular weight of 103.19 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dimethyl-propylazanium is sourced from PubChem (CID 21430996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).