CID 102428925

C18H25N2 — CID 102428925

IUPAC—
SMILESC=CCN1C=[C]N(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C18H25N2/c1-6-10-19-11-12-20(13-19)18-16(14(2)3)8-7-9-17(18)15(4)5/h6-9,11,14-15H,1,10,13H2,2-5H3
InChIKeyYEAACZBGAVWFLI-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.47
Rot. Bonds5

About CID 102428925

CID 102428925 (PubChem CID 102428925) has the molecular formula C18H25N2 and a molecular weight of 269.41 g/mol.

Molecular Properties

Compound NameCID 102428925
PubChem CID102428925
Molecular FormulaC18H25N2
Molecular Weight269.41 g/mol
Exact Mass269.20
IUPAC Name—
SMILESC=CCN1C=[C]N(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C18H25N2/c1-6-10-19-11-12-20(13-19)18-16(14(2)3)8-7-9-17(18)15(4)5/h6-9,11,14-15H,1,10,13H2,2-5H3
InChIKeyYEAACZBGAVWFLI-UHFFFAOYSA-N
XLogP4.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102428925?
The IUPAC name of CID 102428925 (CID 102428925) is not available.
What is the SMILES notation for CID 102428925?
The canonical SMILES for CID 102428925 is C=CCN1C=[C]N(c2c(C(C)C)cccc2C(C)C)C1.
What is the InChIKey of CID 102428925?
The InChIKey is YEAACZBGAVWFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2/c1-6-10-19-11-12-20(13-19)18-16(14(2)3)8-7-9-17(18)15(4)5/h6-9,11,14-15H,1,10,13H2,2-5H3.
What are the key properties of CID 102428925?
CID 102428925 has a molecular weight of 269.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102428925 is sourced from PubChem (CID 102428925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).