CID 174023907

C14H25BN2S — CID 174023907

IUPAC—
SMILES[B]C1CCCCC2C1S/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C14H25BN2S/c1-9(2)16-14-17(10(3)4)12-8-6-5-7-11(15)13(12)18-14/h9-13H,5-8H2,1-4H3/b16-14-
InChIKeyGMTCXISOGSSIEH-PEZBUJJGSA-N
MW264.25 g/mol
LogP3.48
Rot. Bonds2

About CID 174023907

CID 174023907 (PubChem CID 174023907) has the molecular formula C14H25BN2S and a molecular weight of 264.25 g/mol.

Molecular Properties

Compound NameCID 174023907
PubChem CID174023907
Molecular FormulaC14H25BN2S
Molecular Weight264.25 g/mol
Exact Mass264.18
IUPAC Name—
SMILES[B]C1CCCCC2C1S/C(=N\C(C)C)N2C(C)C
InChIInChI=1S/C14H25BN2S/c1-9(2)16-14-17(10(3)4)12-8-6-5-7-11(15)13(12)18-14/h9-13H,5-8H2,1-4H3/b16-14-
InChIKeyGMTCXISOGSSIEH-PEZBUJJGSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
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CID 173968730
CID 173968730
CID 173968748
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CID 174045163
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Frequently Asked Questions

What is the IUPAC name of CID 174023907?
The IUPAC name of CID 174023907 (CID 174023907) is not available.
What is the SMILES notation for CID 174023907?
The canonical SMILES for CID 174023907 is [B]C1CCCCC2C1S/C(=N\C(C)C)N2C(C)C.
What is the InChIKey of CID 174023907?
The InChIKey is GMTCXISOGSSIEH-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H25BN2S/c1-9(2)16-14-17(10(3)4)12-8-6-5-7-11(15)13(12)18-14/h9-13H,5-8H2,1-4H3/b16-14-.
What are the key properties of CID 174023907?
CID 174023907 has a molecular weight of 264.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174023907 is sourced from PubChem (CID 174023907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).