[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide

C16H25IN2 — CID 74219724

IUPAC[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
SMILESC[N+](C)(C)N=C(c1ccccc1)C1CCCCC1.[I-]
InChIInChI=1S/C16H25N2.HI/c1-18(2,3)17-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H/q+1;/p-1
InChIKeyIFZHHOPOIVATKY-UHFFFAOYSA-M
MW372.29 g/mol
LogP0.68
Rot. Bonds3

About [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide

[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide (PubChem CID 74219724) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide.

Molecular Properties

Compound Name[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
PubChem CID74219724
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
SMILESC[N+](C)(C)N=C(c1ccccc1)C1CCCCC1.[I-]
InChIInChI=1S/C16H25N2.HI/c1-18(2,3)17-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H/q+1;/p-1
InChIKeyIFZHHOPOIVATKY-UHFFFAOYSA-M
XLogP0.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3E,5E)-6-bromohepta-1,3,5-trien-3-yl]-1-cyclohexyl-1-phenylmethanimine
CID 139320726
[(2E,4Z)-5-cyclohexylhexa-2,4-dien-2-yl]benzene
CID 177407839
[cyclohexyl(phenyl)methylidene]hafnium(2+)
CID 159740284
[cyclopropyl(phenyl)methylidene]hydrazine
CID 85247126
cyclopentyl(phenyl)methanethione
CID 91757146
N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 3970319
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
CID 5381908
cyclohexanecarboxylic acid;N-methylbenzamide
CID 70533648
[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene
CID 53467222
1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide
CID 165037384
N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 6109947

Frequently Asked Questions

What is the IUPAC name of [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide?
The IUPAC name of [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide (CID 74219724) is [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide.
What is the SMILES notation for [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide?
The canonical SMILES for [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide is C[N+](C)(C)N=C(c1ccccc1)C1CCCCC1.[I-].
What is the InChIKey of [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide?
The InChIKey is IFZHHOPOIVATKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25N2.HI/c1-18(2,3)17-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide?
[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide has a molecular weight of 372.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide is sourced from PubChem (CID 74219724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).