cyclopropane;bis(1,1-dimethylpiperidin-1-ium)

C17H38N2+2 — CID 67708683

IUPACcyclopropane;bis(1,1-dimethylpiperidin-1-ium)
SMILESC1CC1.C[N+]1(C)CCCCC1.C[N+]1(C)CCCCC1
InChIInChI=1S/2C7H16N.C3H6/c2*1-8(2)6-4-3-5-7-8;1-2-3-1/h2*3-7H2,1-2H3;1-3H2/q2*+1;
InChIKeyBKCCMCCFNJJEMX-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.66
Rot. Bonds

About cyclopropane;bis(1,1-dimethylpiperidin-1-ium)

cyclopropane;bis(1,1-dimethylpiperidin-1-ium) (PubChem CID 67708683) has the molecular formula C17H38N2+2 and a molecular weight of 270.50 g/mol. Its IUPAC name is cyclopropane;bis(1,1-dimethylpiperidin-1-ium).

Molecular Properties

Compound Namecyclopropane;bis(1,1-dimethylpiperidin-1-ium)
PubChem CID67708683
Molecular FormulaC17H38N2+2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Namecyclopropane;bis(1,1-dimethylpiperidin-1-ium)
SMILESC1CC1.C[N+]1(C)CCCCC1.C[N+]1(C)CCCCC1
InChIInChI=1S/2C7H16N.C3H6/c2*1-8(2)6-4-3-5-7-8;1-2-3-1/h2*3-7H2,1-2H3;1-3H2/q2*+1;
InChIKeyBKCCMCCFNJJEMX-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;bis(1,1-dimethylpiperidin-1-ium)?
The IUPAC name of cyclopropane;bis(1,1-dimethylpiperidin-1-ium) (CID 67708683) is cyclopropane;bis(1,1-dimethylpiperidin-1-ium).
What is the SMILES notation for cyclopropane;bis(1,1-dimethylpiperidin-1-ium)?
The canonical SMILES for cyclopropane;bis(1,1-dimethylpiperidin-1-ium) is C1CC1.C[N+]1(C)CCCCC1.C[N+]1(C)CCCCC1.
What is the InChIKey of cyclopropane;bis(1,1-dimethylpiperidin-1-ium)?
The InChIKey is BKCCMCCFNJJEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N.C3H6/c2*1-8(2)6-4-3-5-7-8;1-2-3-1/h2*3-7H2,1-2H3;1-3H2/q2*+1;.
What are the key properties of cyclopropane;bis(1,1-dimethylpiperidin-1-ium)?
cyclopropane;bis(1,1-dimethylpiperidin-1-ium) has a molecular weight of 270.50 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;bis(1,1-dimethylpiperidin-1-ium) is sourced from PubChem (CID 67708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).