CID 125471814

C7H14BN2 — CID 125471814

IUPAC—
SMILESCC(C)N([B]C#N)C(C)C
InChIInChI=1S/C7H14BN2/c1-6(2)10(7(3)4)8-5-9/h6-7H,1-4H3
InChIKeyFLDBCALIRAGWMA-UHFFFAOYSA-N
MW137.01 g/mol
LogP1.21
Rot. Bonds3

About CID 125471814

CID 125471814 (PubChem CID 125471814) has the molecular formula C7H14BN2 and a molecular weight of 137.01 g/mol.

Molecular Properties

Compound NameCID 125471814
PubChem CID125471814
Molecular FormulaC7H14BN2
Molecular Weight137.01 g/mol
Exact Mass137.13
IUPAC Name—
SMILESCC(C)N([B]C#N)C(C)C
InChIInChI=1S/C7H14BN2/c1-6(2)10(7(3)4)8-5-9/h6-7H,1-4H3
InChIKeyFLDBCALIRAGWMA-UHFFFAOYSA-N
XLogP1.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.01
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 54448935
CID 54448935
2-methylpropanedinitrile
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CID 164850438
CID 174379697
CID 174379697
(E)-3-[di(propan-2-yl)amino]prop-2-enenitrile
CID 5368921
CID 87866198
CID 87866198
dicyano-bis[di(propan-2-yl)amino]phosphanium
CID 24975528
N,N-di(propan-2-yl)propan-2-amine;hydrate
CID 173081552
CID 14482821
CID 14482821
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
hydron;bis(2-methylpropanenitrile)
CID 174938927
azane;bis(2-methylpropanenitrile)
CID 146171697

Frequently Asked Questions

What is the IUPAC name of CID 125471814?
The IUPAC name of CID 125471814 (CID 125471814) is not available.
What is the SMILES notation for CID 125471814?
The canonical SMILES for CID 125471814 is CC(C)N([B]C#N)C(C)C.
What is the InChIKey of CID 125471814?
The InChIKey is FLDBCALIRAGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BN2/c1-6(2)10(7(3)4)8-5-9/h6-7H,1-4H3.
What are the key properties of CID 125471814?
CID 125471814 has a molecular weight of 137.01 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 125471814 is sourced from PubChem (CID 125471814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).