CID 163426704

C13H23IN- — CID 163426704

IUPAC—
SMILESCC(C)C1CC2(CC3[I-]C32)CN1C(C)C
InChIInChI=1S/C13H23IN/c1-8(2)11-6-13(5-10-12(13)14-10)7-15(11)9(3)4/h8-12H,5-7H2,1-4H3/q-1
InChIKeyOFNPEOKFSZMKKA-UHFFFAOYSA-N
MW320.24 g/mol
LogP-0.64
Rot. Bonds2

About CID 163426704

CID 163426704 (PubChem CID 163426704) has the molecular formula C13H23IN- and a molecular weight of 320.24 g/mol.

Molecular Properties

Compound NameCID 163426704
PubChem CID163426704
Molecular FormulaC13H23IN-
Molecular Weight320.24 g/mol
Exact Mass320.09
IUPAC Name—
SMILESCC(C)C1CC2(CC3[I-]C32)CN1C(C)C
InChIInChI=1S/C13H23IN/c1-8(2)11-6-13(5-10-12(13)14-10)7-15(11)9(3)4/h8-12H,5-7H2,1-4H3/q-1
InChIKeyOFNPEOKFSZMKKA-UHFFFAOYSA-N
XLogP-0.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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2-ethyl-5,6-di(propan-2-yl)-5-azaspiro[2.5]octane
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Frequently Asked Questions

What is the IUPAC name of CID 163426704?
The IUPAC name of CID 163426704 (CID 163426704) is not available.
What is the SMILES notation for CID 163426704?
The canonical SMILES for CID 163426704 is CC(C)C1CC2(CC3[I-]C32)CN1C(C)C.
What is the InChIKey of CID 163426704?
The InChIKey is OFNPEOKFSZMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IN/c1-8(2)11-6-13(5-10-12(13)14-10)7-15(11)9(3)4/h8-12H,5-7H2,1-4H3/q-1.
What are the key properties of CID 163426704?
CID 163426704 has a molecular weight of 320.24 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163426704 is sourced from PubChem (CID 163426704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).