dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium

C10H19N2+ — CID 146657826

IUPACdimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium
SMILESCC(C)C1CC(=[N+](C)C)C=CN1
InChIInChI=1S/C10H18N2/c1-8(2)10-7-9(12(3)4)5-6-11-10/h5-6,8,10H,7H2,1-4H3/p+1
InChIKeyDONWETMAHICKBY-UHFFFAOYSA-O
MW167.28 g/mol
LogP1.23
Rot. Bonds1

About dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium

dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium (PubChem CID 146657826) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium
PubChem CID146657826
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Namedimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium
SMILESCC(C)C1CC(=[N+](C)C)C=CN1
InChIInChI=1S/C10H18N2/c1-8(2)10-7-9(12(3)4)5-6-11-10/h5-6,8,10H,7H2,1-4H3/p+1
InChIKeyDONWETMAHICKBY-UHFFFAOYSA-O
XLogP1.23
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.23
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 dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium?
The IUPAC name of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium (CID 146657826) is dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium.
What is the SMILES notation for dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium?
The canonical SMILES for dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium is CC(C)C1CC(=[N+](C)C)C=CN1.
What is the InChIKey of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium?
The InChIKey is DONWETMAHICKBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2/c1-8(2)10-7-9(12(3)4)5-6-11-10/h5-6,8,10H,7H2,1-4H3/p+1.
What are the key properties of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium?
dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium has a molecular weight of 167.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium is sourced from PubChem (CID 146657826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).