CID 169430456

C8H21BN — CID 169430456

IUPAC—
SMILESCC(C)N.CCC(C)C.[B]
InChIInChI=1S/C5H12.C3H9N.B/c1-4-5(2)3;1-3(2)4;/h5H,4H2,1-3H3;3H,4H2,1-2H3;
InChIKeyNFELWXDEBISUAZ-UHFFFAOYSA-N
MW142.07 g/mol
LogP2.03
Rot. Bonds1

About CID 169430456

CID 169430456 (PubChem CID 169430456) has the molecular formula C8H21BN and a molecular weight of 142.07 g/mol.

Molecular Properties

Compound NameCID 169430456
PubChem CID169430456
Molecular FormulaC8H21BN
Molecular Weight142.07 g/mol
Exact Mass142.18
IUPAC Name—
SMILESCC(C)N.CCC(C)C.[B]
InChIInChI=1S/C5H12.C3H9N.B/c1-4-5(2)3;1-3(2)4;/h5H,4H2,1-3H3;3H,4H2,1-2H3;
InChIKeyNFELWXDEBISUAZ-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 164983427
2-methylbutane
CID 158117812
2-methylbutane
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hydroxylamine;2-methylbutane
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2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
iodosilver;2-methylbutane
CID 174297027
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
ethane;methane;2-methylbutane;propane
CID 162144061
propan-2-amine;propane;propan-2-ol
CID 161404449
ethane;ethene;2-methylbutane;propane
CID 142006499
hydron;propan-2-amine
CID 174699722

Frequently Asked Questions

What is the IUPAC name of CID 169430456?
The IUPAC name of CID 169430456 (CID 169430456) is not available.
What is the SMILES notation for CID 169430456?
The canonical SMILES for CID 169430456 is CC(C)N.CCC(C)C.[B].
What is the InChIKey of CID 169430456?
The InChIKey is NFELWXDEBISUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H9N.B/c1-4-5(2)3;1-3(2)4;/h5H,4H2,1-3H3;3H,4H2,1-2H3;.
What are the key properties of CID 169430456?
CID 169430456 has a molecular weight of 142.07 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169430456 is sourced from PubChem (CID 169430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).