CID 176924165

C23H39N4O2Pb — CID 176924165

IUPAC—
SMILESCC.CN(C)C.O=CCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1C[Pb]
InChIInChI=1S/C18H24N3O2.C3H9N.C2H6.Pb/c1-21-7-5-14-17(15(21)3-2-8-22)16(4-6-20-14)23-13-9-18(10-13)11-19-12-18;1-4(2)3;1-2;/h4,6,8,13,15,19H,1-3,5,7,9-12H2;1-3H3;1-2H3;
InChIKeyGICGNBVVMPEIQU-UHFFFAOYSA-N
MW610.79 g/mol
LogP2.42
Rot. Bonds6

About CID 176924165

CID 176924165 (PubChem CID 176924165) has the molecular formula C23H39N4O2Pb and a molecular weight of 610.79 g/mol.

Molecular Properties

Compound NameCID 176924165
PubChem CID176924165
Molecular FormulaC23H39N4O2Pb
Molecular Weight610.79 g/mol
Exact Mass611.28
IUPAC Name—
SMILESCC.CN(C)C.O=CCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1C[Pb]
InChIInChI=1S/C18H24N3O2.C3H9N.C2H6.Pb/c1-21-7-5-14-17(15(21)3-2-8-22)16(4-6-20-14)23-13-9-18(10-13)11-19-12-18;1-4(2)3;1-2;/h4,6,8,13,15,19H,1-3,5,7,9-12H2;1-3H3;1-2H3;
InChIKeyGICGNBVVMPEIQU-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.79
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176924165?
The IUPAC name of CID 176924165 (CID 176924165) is not available.
What is the SMILES notation for CID 176924165?
The canonical SMILES for CID 176924165 is CC.CN(C)C.O=CCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1C[Pb].
What is the InChIKey of CID 176924165?
The InChIKey is GICGNBVVMPEIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N3O2.C3H9N.C2H6.Pb/c1-21-7-5-14-17(15(21)3-2-8-22)16(4-6-20-14)23-13-9-18(10-13)11-19-12-18;1-4(2)3;1-2;/h4,6,8,13,15,19H,1-3,5,7,9-12H2;1-3H3;1-2H3;.
What are the key properties of CID 176924165?
CID 176924165 has a molecular weight of 610.79 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176924165 is sourced from PubChem (CID 176924165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).