CID 159806159

C4H14BN3 — CID 159806159

IUPAC—
SMILESNN.[B]N(CC)CC
InChIInChI=1S/C4H10BN.H4N2/c1-3-6(5)4-2;1-2/h3-4H2,1-2H3;1-2H2
InChIKeyKUIVFFLBHFEBCH-UHFFFAOYSA-N
MW114.99 g/mol
LogP-0.77
Rot. Bonds2

About CID 159806159

CID 159806159 (PubChem CID 159806159) has the molecular formula C4H14BN3 and a molecular weight of 114.99 g/mol.

Molecular Properties

Compound NameCID 159806159
PubChem CID159806159
Molecular FormulaC4H14BN3
Molecular Weight114.99 g/mol
Exact Mass115.13
IUPAC Name—
SMILESNN.[B]N(CC)CC
InChIInChI=1S/C4H10BN.H4N2/c1-3-6(5)4-2;1-2/h3-4H2,1-2H3;1-2H2
InChIKeyKUIVFFLBHFEBCH-UHFFFAOYSA-N
XLogP-0.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.99
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butane;hydrazine
CID 161056989
butane;methanamine
CID 22416644
CID 123558206
CID 123558206
N,N-dimethylethanamine;ethane;methanamine
CID 145153553
N-ethyl-N-methylethanamine;methanamine
CID 145177387
CID 145048745
CID 145048745
CID 173162991
CID 173162991
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;1,1-dimethylhydrazine
CID 87141357
1,1-diethylhydrazine;ethene
CID 87605670
N,N-dimethylethanamine;hydroiodide
CID 173048873
CID 175820473
CID 175820473

Frequently Asked Questions

What is the IUPAC name of CID 159806159?
The IUPAC name of CID 159806159 (CID 159806159) is not available.
What is the SMILES notation for CID 159806159?
The canonical SMILES for CID 159806159 is NN.[B]N(CC)CC.
What is the InChIKey of CID 159806159?
The InChIKey is KUIVFFLBHFEBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BN.H4N2/c1-3-6(5)4-2;1-2/h3-4H2,1-2H3;1-2H2.
What are the key properties of CID 159806159?
CID 159806159 has a molecular weight of 114.99 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159806159 is sourced from PubChem (CID 159806159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).