iminomethylidene-di(propan-2-yl)azanium

C7H15N2+ — CID 18974277

IUPACiminomethylidene-di(propan-2-yl)azanium
SMILESCC(C)[N+](=C=N)C(C)C
InChIInChI=1S/C7H15N2/c1-6(2)9(5-8)7(3)4/h6-8H,1-4H3/q+1
InChIKeyVUXMYGVEBJCGKG-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.57
Rot. Bonds2

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

iminomethylidene-di(propan-2-yl)azanium (PubChem CID 18974277) has the molecular formula C7H15N2+ and a molecular weight of 127.21 g/mol. Its IUPAC name is iminomethylidene-di(propan-2-yl)azanium.

Molecular Properties

Compound Nameiminomethylidene-di(propan-2-yl)azanium
PubChem CID18974277
Molecular FormulaC7H15N2+
Molecular Weight127.21 g/mol
Exact Mass127.12
IUPAC Nameiminomethylidene-di(propan-2-yl)azanium
SMILESCC(C)[N+](=C=N)C(C)C
InChIInChI=1S/C7H15N2/c1-6(2)9(5-8)7(3)4/h6-8H,1-4H3/q+1
InChIKeyVUXMYGVEBJCGKG-UHFFFAOYSA-N
XLogP1.57
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iminomethylidene-di(propan-2-yl)azanium?
The IUPAC name of iminomethylidene-di(propan-2-yl)azanium (CID 18974277) is iminomethylidene-di(propan-2-yl)azanium.
What is the SMILES notation for iminomethylidene-di(propan-2-yl)azanium?
The canonical SMILES for iminomethylidene-di(propan-2-yl)azanium is CC(C)[N+](=C=N)C(C)C.
What is the InChIKey of iminomethylidene-di(propan-2-yl)azanium?
The InChIKey is VUXMYGVEBJCGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2/c1-6(2)9(5-8)7(3)4/h6-8H,1-4H3/q+1.
What are the key properties of iminomethylidene-di(propan-2-yl)azanium?
iminomethylidene-di(propan-2-yl)azanium has a molecular weight of 127.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iminomethylidene-di(propan-2-yl)azanium is sourced from PubChem (CID 18974277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).