CID 139745545

C16H39BN2Sn — CID 139745545

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.CN(C)[B]N(C)C
InChIInChI=1S/C4H12BN2.3C4H9.Sn/c1-6(2)5-7(3)4;3*1-3-4-2;/h1-4H3;3*1,3-4H2,2H3;
InChIKeyVDNCNLDGZILHGG-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.53
Rot. Bonds11

About CID 139745545

CID 139745545 (PubChem CID 139745545) has the molecular formula C16H39BN2Sn and a molecular weight of 389.03 g/mol.

Molecular Properties

Compound NameCID 139745545
PubChem CID139745545
Molecular FormulaC16H39BN2Sn
Molecular Weight389.03 g/mol
Exact Mass390.22
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.CN(C)[B]N(C)C
InChIInChI=1S/C4H12BN2.3C4H9.Sn/c1-6(2)5-7(3)4;3*1-3-4-2;/h1-4H3;3*1,3-4H2,2H3;
InChIKeyVDNCNLDGZILHGG-UHFFFAOYSA-N
XLogP4.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 139745545 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173282826
CID 173282826
Stannane, tributylhydroxy-, conjugate acid
CID 6337764
CID 173415754
CID 173415754
CID 16705023
CID 16705023
CID 162446863
CID 162446863
CID 173181829
CID 173181829
CID 11417796
CID 11417796
CID 173307482
CID 173307482
CID 161036779
CID 161036779
CID 6327904
CID 6327904
CID 173021152
CID 173021152
CID 6338091
CID 6338091

Frequently Asked Questions

What is the IUPAC name of CID 139745545?
The IUPAC name of CID 139745545 (CID 139745545) is not available.
What is the SMILES notation for CID 139745545?
The canonical SMILES for CID 139745545 is CCCC[Sn](CCCC)CCCC.CN(C)[B]N(C)C.
What is the InChIKey of CID 139745545?
The InChIKey is VDNCNLDGZILHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12BN2.3C4H9.Sn/c1-6(2)5-7(3)4;3*1-3-4-2;/h1-4H3;3*1,3-4H2,2H3;.
What are the key properties of CID 139745545?
CID 139745545 has a molecular weight of 389.03 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139745545 is sourced from PubChem (CID 139745545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).