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

C10H19IN2 — CID 146657825

IUPACdimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide
SMILESCC(C)C1CC(=[N+](C)C)C=CN1.[I-]
InChIInChI=1S/C10H18N2.HI/c1-8(2)10-7-9(12(3)4)5-6-11-10;/h5-6,8,10H,7H2,1-4H3;1H
InChIKeyFZMMRHCETGCLSS-UHFFFAOYSA-N
MW294.18 g/mol
LogP-1.76
Rot. Bonds1

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

dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide (PubChem CID 146657825) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide.

Molecular Properties

Compound Namedimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide
PubChem CID146657825
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC Namedimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide
SMILESCC(C)C1CC(=[N+](C)C)C=CN1.[I-]
InChIInChI=1S/C10H18N2.HI/c1-8(2)10-7-9(12(3)4)5-6-11-10;/h5-6,8,10H,7H2,1-4H3;1H
InChIKeyFZMMRHCETGCLSS-UHFFFAOYSA-N
XLogP-1.76
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 iodide?
The IUPAC name of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide (CID 146657825) is dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide.
What is the SMILES notation for dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide?
The canonical SMILES for dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide is CC(C)C1CC(=[N+](C)C)C=CN1.[I-].
What is the InChIKey of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide?
The InChIKey is FZMMRHCETGCLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.HI/c1-8(2)10-7-9(12(3)4)5-6-11-10;/h5-6,8,10H,7H2,1-4H3;1H.
What are the key properties of dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide?
dimethyl-(2-propan-2-yl-2,3-dihydro-1H-pyridin-4-ylidene)azanium iodide has a molecular weight of 294.18 g/mol, XLogP of -1.76, 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 iodide is sourced from PubChem (CID 146657825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).