3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium

C15H31N2+ — CID 58911998

IUPAC3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
SMILESCC(C)N(C=CC=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1
InChIKeyIRTHMEAEKKETQV-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.52
Rot. Bonds6

About 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium

3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium (PubChem CID 58911998) has the molecular formula C15H31N2+ and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
PubChem CID58911998
Molecular FormulaC15H31N2+
Molecular Weight239.43 g/mol
Exact Mass239.25
IUPAC Name3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium
SMILESCC(C)N(C=CC=[N+](C(C)C)C(C)C)C(C)C
InChIInChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1
InChIKeyIRTHMEAEKKETQV-UHFFFAOYSA-N
XLogP3.52
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
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 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium?
The IUPAC name of 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium (CID 58911998) is 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium.
What is the SMILES notation for 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium?
The canonical SMILES for 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium is CC(C)N(C=CC=[N+](C(C)C)C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium?
The InChIKey is IRTHMEAEKKETQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N2/c1-12(2)16(13(3)4)10-9-11-17(14(5)6)15(7)8/h9-15H,1-8H3/q+1.
What are the key properties of 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium?
3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium has a molecular weight of 239.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]prop-2-enylidene-di(propan-2-yl)azanium is sourced from PubChem (CID 58911998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).