CID 153390108

C13H24NRb — CID 153390108

IUPAC—
SMILESCCN1CCCC2(CC[C-](C)CC2)C1.[Rb+]
InChIInChI=1S/C13H24N.Rb/c1-3-14-10-4-7-13(11-14)8-5-12(2)6-9-13;/h3-11H2,1-2H3;/q-1;+1
InChIKeyBTJLIVHEGCNKAA-UHFFFAOYSA-N
MW279.81 g/mol
LogP0.26
Rot. Bonds1

About CID 153390108

CID 153390108 (PubChem CID 153390108) has the molecular formula C13H24NRb and a molecular weight of 279.81 g/mol.

Molecular Properties

Compound NameCID 153390108
PubChem CID153390108
Molecular FormulaC13H24NRb
Molecular Weight279.81 g/mol
Exact Mass279.10
IUPAC Name—
SMILESCCN1CCCC2(CC[C-](C)CC2)C1.[Rb+]
InChIInChI=1S/C13H24N.Rb/c1-3-14-10-4-7-13(11-14)8-5-12(2)6-9-13;/h3-11H2,1-2H3;/q-1;+1
InChIKeyBTJLIVHEGCNKAA-UHFFFAOYSA-N
XLogP0.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153390108?
The IUPAC name of CID 153390108 (CID 153390108) is not available.
What is the SMILES notation for CID 153390108?
The canonical SMILES for CID 153390108 is CCN1CCCC2(CC[C-](C)CC2)C1.[Rb+].
What is the InChIKey of CID 153390108?
The InChIKey is BTJLIVHEGCNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N.Rb/c1-3-14-10-4-7-13(11-14)8-5-12(2)6-9-13;/h3-11H2,1-2H3;/q-1;+1.
What are the key properties of CID 153390108?
CID 153390108 has a molecular weight of 279.81 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153390108 is sourced from PubChem (CID 153390108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).