imino-di(propan-2-yl)azanium

C6H15N2+ — CID 23268581

IUPACimino-di(propan-2-yl)azanium
SMILES[H]N=[N+](C(C)C)C(C)C
InChIInChI=1S/C6H15N2/c1-5(2)8(7)6(3)4/h5-7H,1-4H3/q+1
InChIKeyADHYQMQNPBJRRN-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.85
Rot. Bonds2

About imino-di(propan-2-yl)azanium

imino-di(propan-2-yl)azanium (PubChem CID 23268581) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is imino-di(propan-2-yl)azanium.

Molecular Properties

Compound Nameimino-di(propan-2-yl)azanium
PubChem CID23268581
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Nameimino-di(propan-2-yl)azanium
SMILES[H]N=[N+](C(C)C)C(C)C
InChIInChI=1S/C6H15N2/c1-5(2)8(7)6(3)4/h5-7H,1-4H3/q+1
InChIKeyADHYQMQNPBJRRN-UHFFFAOYSA-N
XLogP1.85
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino-di(propan-2-yl)azanium?
The IUPAC name of imino-di(propan-2-yl)azanium (CID 23268581) is imino-di(propan-2-yl)azanium.
What is the SMILES notation for imino-di(propan-2-yl)azanium?
The canonical SMILES for imino-di(propan-2-yl)azanium is [H]N=[N+](C(C)C)C(C)C.
What is the InChIKey of imino-di(propan-2-yl)azanium?
The InChIKey is ADHYQMQNPBJRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2/c1-5(2)8(7)6(3)4/h5-7H,1-4H3/q+1.
What are the key properties of imino-di(propan-2-yl)azanium?
imino-di(propan-2-yl)azanium has a molecular weight of 115.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for imino-di(propan-2-yl)azanium is sourced from PubChem (CID 23268581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).