CID 174036232

C5H11BN2 — CID 174036232

IUPAC—
SMILES[B]N=C(N)C(C)CC
InChIInChI=1S/C5H11BN2/c1-3-4(2)5(7)8-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyVELFPYXLMFPCJT-UHFFFAOYSA-N
MW109.97 g/mol
LogP0.47
Rot. Bonds2

About CID 174036232

CID 174036232 (PubChem CID 174036232) has the molecular formula C5H11BN2 and a molecular weight of 109.97 g/mol.

Molecular Properties

Compound NameCID 174036232
PubChem CID174036232
Molecular FormulaC5H11BN2
Molecular Weight109.97 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[B]N=C(N)C(C)CC
InChIInChI=1S/C5H11BN2/c1-3-4(2)5(7)8-6/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyVELFPYXLMFPCJT-UHFFFAOYSA-N
XLogP0.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.97
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-propan-2-ylbutanimidamide
CID 63717629
N'-ethenyl-2-methylbutanimidamide
CID 155258668
2-methyl-N'-[N-methyl-C-(trifluoromethyl)carbonimidoyl]butanimidamide
CID 123403533
methane;2-methylbutanamide
CID 158835184
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
N-(1-aminoethylidene)-2-methylbutanamide
CID 123142152
4-methyl-3-oxohexanamide
CID 91421150
2-methylbutanamide;oxaldehyde
CID 90898555
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
hydroxylamine;2-methylbutane
CID 175063986
N'-(3-ethylpentan-2-yl)-2-methylpropanimidamide
CID 63841288
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273

Frequently Asked Questions

What is the IUPAC name of CID 174036232?
The IUPAC name of CID 174036232 (CID 174036232) is not available.
What is the SMILES notation for CID 174036232?
The canonical SMILES for CID 174036232 is [B]N=C(N)C(C)CC.
What is the InChIKey of CID 174036232?
The InChIKey is VELFPYXLMFPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BN2/c1-3-4(2)5(7)8-6/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of CID 174036232?
CID 174036232 has a molecular weight of 109.97 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174036232 is sourced from PubChem (CID 174036232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).