CID 159857150

C8H26BN4 — CID 159857150

IUPAC—
SMILESC.CC.CC(C)N1CCNN1.N.[B]
InChIInChI=1S/C5H13N3.C2H6.CH4.B.H3N/c1-5(2)8-4-3-6-7-8;1-2;;;/h5-7H,3-4H2,1-2H3;1-2H3;1H4;;1H3
InChIKeyYOSOUJVOUIMTMW-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.16
Rot. Bonds1

About CID 159857150

CID 159857150 (PubChem CID 159857150) has the molecular formula C8H26BN4 and a molecular weight of 189.14 g/mol.

Molecular Properties

Compound NameCID 159857150
PubChem CID159857150
Molecular FormulaC8H26BN4
Molecular Weight189.14 g/mol
Exact Mass189.23
IUPAC Name—
SMILESC.CC.CC(C)N1CCNN1.N.[B]
InChIInChI=1S/C5H13N3.C2H6.CH4.B.H3N/c1-5(2)8-4-3-6-7-8;1-2;;;/h5-7H,3-4H2,1-2H3;1-2H3;1H4;;1H3
InChIKeyYOSOUJVOUIMTMW-UHFFFAOYSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-bromotriazolidine
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CID 167557798
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CID 142051303
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CID 44887258
ethane;methane;2-methylpropane
CID 161431647
ethane;methane;bis(2-methylpropane)
CID 169426228
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792

Frequently Asked Questions

What is the IUPAC name of CID 159857150?
The IUPAC name of CID 159857150 (CID 159857150) is not available.
What is the SMILES notation for CID 159857150?
The canonical SMILES for CID 159857150 is C.CC.CC(C)N1CCNN1.N.[B].
What is the InChIKey of CID 159857150?
The InChIKey is YOSOUJVOUIMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.C2H6.CH4.B.H3N/c1-5(2)8-4-3-6-7-8;1-2;;;/h5-7H,3-4H2,1-2H3;1-2H3;1H4;;1H3.
What are the key properties of CID 159857150?
CID 159857150 has a molecular weight of 189.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159857150 is sourced from PubChem (CID 159857150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).