CID 145425656

C15H25N2 — CID 145425656

IUPAC—
SMILESC/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1.CC
InChIInChI=1S/C13H19N2.C2H6/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12;1-2/h6-7,12,15H,4-5,8H2,1-3H3;1-2H3/b13-9+,14-10+;
InChIKeyKXZPGGLVHSGYSK-ALGRVRKVSA-N
MW233.38 g/mol
LogP3.32
Rot. Bonds3

About CID 145425656

CID 145425656 (PubChem CID 145425656) has the molecular formula C15H25N2 and a molecular weight of 233.38 g/mol.

Molecular Properties

Compound NameCID 145425656
PubChem CID145425656
Molecular FormulaC15H25N2
Molecular Weight233.38 g/mol
Exact Mass233.20
IUPAC Name—
SMILESC/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1.CC
InChIInChI=1S/C13H19N2.C2H6/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12;1-2/h6-7,12,15H,4-5,8H2,1-3H3;1-2H3/b13-9+,14-10+;
InChIKeyKXZPGGLVHSGYSK-ALGRVRKVSA-N
XLogP3.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 145425656?
The IUPAC name of CID 145425656 (CID 145425656) is not available.
What is the SMILES notation for CID 145425656?
The canonical SMILES for CID 145425656 is C/N=C(C)/C(=C(/C)C1=C[CH]1)C1CCCN1.CC.
What is the InChIKey of CID 145425656?
The InChIKey is KXZPGGLVHSGYSK-ALGRVRKVSA-N. The full InChI is InChI=1S/C13H19N2.C2H6/c1-9(11-6-7-11)13(10(2)14-3)12-5-4-8-15-12;1-2/h6-7,12,15H,4-5,8H2,1-3H3;1-2H3/b13-9+,14-10+;.
What are the key properties of CID 145425656?
CID 145425656 has a molecular weight of 233.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145425656 is sourced from PubChem (CID 145425656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).