CID 58675316

C12H24N2O2+ — CID 58675316

IUPAC—
SMILESCCC1(C)C/[N+](=C\O)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C12H23N2O2/c1-6-11(4)8-13(9-15)10(3)12(5,7-2)14(11)16/h9-10H,6-8H2,1-5H3/p+1
InChIKeyQCRODCJXFUSDLW-UHFFFAOYSA-O
MW228.34 g/mol
LogP1.97
Rot. Bonds2

About CID 58675316

CID 58675316 (PubChem CID 58675316) has the molecular formula C12H24N2O2+ and a molecular weight of 228.34 g/mol.

Molecular Properties

Compound NameCID 58675316
PubChem CID58675316
Molecular FormulaC12H24N2O2+
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name—
SMILESCCC1(C)C/[N+](=C\O)C(C)C(C)(CC)N1[O]
InChIInChI=1S/C12H23N2O2/c1-6-11(4)8-13(9-15)10(3)12(5,7-2)14(11)16/h9-10H,6-8H2,1-5H3/p+1
InChIKeyQCRODCJXFUSDLW-UHFFFAOYSA-O
XLogP1.97
TPSA46.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58675316?
The IUPAC name of CID 58675316 (CID 58675316) is not available.
What is the SMILES notation for CID 58675316?
The canonical SMILES for CID 58675316 is CCC1(C)C/[N+](=C\O)C(C)C(C)(CC)N1[O].
What is the InChIKey of CID 58675316?
The InChIKey is QCRODCJXFUSDLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23N2O2/c1-6-11(4)8-13(9-15)10(3)12(5,7-2)14(11)16/h9-10H,6-8H2,1-5H3/p+1.
What are the key properties of CID 58675316?
CID 58675316 has a molecular weight of 228.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58675316 is sourced from PubChem (CID 58675316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).