CID 174065957

C13H26BN — CID 174065957

IUPAC—
SMILES[B]C1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26BN/c1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6/h7-10H2,1-6H3
InChIKeyKCFGZVFSONBTKK-UHFFFAOYSA-N
MW207.17 g/mol
LogP3.25
Rot. Bonds

About CID 174065957

CID 174065957 (PubChem CID 174065957) has the molecular formula C13H26BN and a molecular weight of 207.17 g/mol.

Molecular Properties

Compound NameCID 174065957
PubChem CID174065957
Molecular FormulaC13H26BN
Molecular Weight207.17 g/mol
Exact Mass207.22
IUPAC Name—
SMILES[B]C1(C(C)(C)C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26BN/c1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6/h7-10H2,1-6H3
InChIKeyKCFGZVFSONBTKK-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174065957?
The IUPAC name of CID 174065957 (CID 174065957) is not available.
What is the SMILES notation for CID 174065957?
The canonical SMILES for CID 174065957 is [B]C1(C(C)(C)C)CCN(C(C)(C)C)CC1.
What is the InChIKey of CID 174065957?
The InChIKey is KCFGZVFSONBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BN/c1-11(2,3)13(14)7-9-15(10-8-13)12(4,5)6/h7-10H2,1-6H3.
What are the key properties of CID 174065957?
CID 174065957 has a molecular weight of 207.17 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174065957 is sourced from PubChem (CID 174065957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).