CID 102286941

C7H16N2O2+ — CID 102286941

IUPAC—
SMILESCCN(C)OC(=[O+])N(C)CC
InChIInChI=1S/C7H16N2O2/c1-5-8(3)7(10)11-9(4)6-2/h5-6H2,1-4H3/q+1
InChIKeyDUDQKIBTHBWLRB-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.94
Rot. Bonds3

About CID 102286941

CID 102286941 (PubChem CID 102286941) has the molecular formula C7H16N2O2+ and a molecular weight of 160.22 g/mol.

Molecular Properties

Compound NameCID 102286941
PubChem CID102286941
Molecular FormulaC7H16N2O2+
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name—
SMILESCCN(C)OC(=[O+])N(C)CC
InChIInChI=1S/C7H16N2O2/c1-5-8(3)7(10)11-9(4)6-2/h5-6H2,1-4H3/q+1
InChIKeyDUDQKIBTHBWLRB-UHFFFAOYSA-N
XLogP0.94
TPSA35.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102286941?
The IUPAC name of CID 102286941 (CID 102286941) is not available.
What is the SMILES notation for CID 102286941?
The canonical SMILES for CID 102286941 is CCN(C)OC(=[O+])N(C)CC.
What is the InChIKey of CID 102286941?
The InChIKey is DUDQKIBTHBWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5-8(3)7(10)11-9(4)6-2/h5-6H2,1-4H3/q+1.
What are the key properties of CID 102286941?
CID 102286941 has a molecular weight of 160.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102286941 is sourced from PubChem (CID 102286941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).