CID 159323966

C24H45FN6 — CID 159323966

IUPAC—
SMILESC.CN1CCN(C2(C#N)CCCCC2)CC1.N#CC1(N2CCNCC2)CCCCC1.[3H]F
InChIInChI=1S/C12H21N3.C11H19N3.CH4.FH/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12;12-10-11(4-2-1-3-5-11)14-8-6-13-7-9-14;;/h2-10H2,1H3;13H,1-9H2;1H4;1H/i/hT
InChIKeyLECUJYQYGSIHDJ-MNYXATJNSA-N
MW438.67 g/mol
LogP3.37
Rot. Bonds2

About CID 159323966

CID 159323966 (PubChem CID 159323966) has the molecular formula C24H45FN6 and a molecular weight of 438.67 g/mol.

Molecular Properties

Compound NameCID 159323966
PubChem CID159323966
Molecular FormulaC24H45FN6
Molecular Weight438.67 g/mol
Exact Mass438.38
IUPAC Name—
SMILESC.CN1CCN(C2(C#N)CCCCC2)CC1.N#CC1(N2CCNCC2)CCCCC1.[3H]F
InChIInChI=1S/C12H21N3.C11H19N3.CH4.FH/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12;12-10-11(4-2-1-3-5-11)14-8-6-13-7-9-14;;/h2-10H2,1H3;13H,1-9H2;1H4;1H/i/hT
InChIKeyLECUJYQYGSIHDJ-MNYXATJNSA-N
XLogP3.37
TPSA69.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 159323966?
The IUPAC name of CID 159323966 (CID 159323966) is not available.
What is the SMILES notation for CID 159323966?
The canonical SMILES for CID 159323966 is C.CN1CCN(C2(C#N)CCCCC2)CC1.N#CC1(N2CCNCC2)CCCCC1.[3H]F.
What is the InChIKey of CID 159323966?
The InChIKey is LECUJYQYGSIHDJ-MNYXATJNSA-N. The full InChI is InChI=1S/C12H21N3.C11H19N3.CH4.FH/c1-14-7-9-15(10-8-14)12(11-13)5-3-2-4-6-12;12-10-11(4-2-1-3-5-11)14-8-6-13-7-9-14;;/h2-10H2,1H3;13H,1-9H2;1H4;1H/i/hT.
What are the key properties of CID 159323966?
CID 159323966 has a molecular weight of 438.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159323966 is sourced from PubChem (CID 159323966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).