CID 160802886

C13H35BN3 — CID 160802886

IUPAC—
SMILESC.CC.CC(C)(C)C.CC(C)N1CNNC1.[B]
InChIInChI=1S/C5H13N3.C5H12.C2H6.CH4.B/c1-5(2)8-3-6-7-4-8;1-5(2,3)4;1-2;;/h5-7H,3-4H2,1-2H3;1-4H3;1-2H3;1H4;
InChIKeySSIZSDDLGUVORV-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.05
Rot. Bonds1

About CID 160802886

CID 160802886 (PubChem CID 160802886) has the molecular formula C13H35BN3 and a molecular weight of 244.26 g/mol.

Molecular Properties

Compound NameCID 160802886
PubChem CID160802886
Molecular FormulaC13H35BN3
Molecular Weight244.26 g/mol
Exact Mass244.29
IUPAC Name—
SMILESC.CC.CC(C)(C)C.CC(C)N1CNNC1.[B]
InChIInChI=1S/C5H13N3.C5H12.C2H6.CH4.B/c1-5(2)8-3-6-7-4-8;1-5(2,3)4;1-2;;/h5-7H,3-4H2,1-2H3;1-4H3;1-2H3;1H4;
InChIKeySSIZSDDLGUVORV-UHFFFAOYSA-N
XLogP3.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
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Frequently Asked Questions

What is the IUPAC name of CID 160802886?
The IUPAC name of CID 160802886 (CID 160802886) is not available.
What is the SMILES notation for CID 160802886?
The canonical SMILES for CID 160802886 is C.CC.CC(C)(C)C.CC(C)N1CNNC1.[B].
What is the InChIKey of CID 160802886?
The InChIKey is SSIZSDDLGUVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.C5H12.C2H6.CH4.B/c1-5(2)8-3-6-7-4-8;1-5(2,3)4;1-2;;/h5-7H,3-4H2,1-2H3;1-4H3;1-2H3;1H4;.
What are the key properties of CID 160802886?
CID 160802886 has a molecular weight of 244.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160802886 is sourced from PubChem (CID 160802886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).