CID 156823636

C14H29BN2 — CID 156823636

IUPAC—
SMILESCC.CC.[H]/N=C/N(C)C1=C(C)C([B])(C)CCC1
InChIInChI=1S/C10H17BN2.2C2H6/c1-8-9(13(3)7-12)5-4-6-10(8,2)11;2*1-2/h7,12H,4-6H2,1-3H3;2*1-2H3/b12-7+;;
InChIKeyYFEGDEMFQUUTIO-CURPJKDSSA-N
MW236.21 g/mol
LogP4.38
Rot. Bonds2

About CID 156823636

CID 156823636 (PubChem CID 156823636) has the molecular formula C14H29BN2 and a molecular weight of 236.21 g/mol.

Molecular Properties

Compound NameCID 156823636
PubChem CID156823636
Molecular FormulaC14H29BN2
Molecular Weight236.21 g/mol
Exact Mass236.24
IUPAC Name—
SMILESCC.CC.[H]/N=C/N(C)C1=C(C)C([B])(C)CCC1
InChIInChI=1S/C10H17BN2.2C2H6/c1-8-9(13(3)7-12)5-4-6-10(8,2)11;2*1-2/h7,12H,4-6H2,1-3H3;2*1-2H3/b12-7+;;
InChIKeyYFEGDEMFQUUTIO-CURPJKDSSA-N
XLogP4.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of CID 156823636?
The IUPAC name of CID 156823636 (CID 156823636) is not available.
What is the SMILES notation for CID 156823636?
The canonical SMILES for CID 156823636 is CC.CC.[H]/N=C/N(C)C1=C(C)C([B])(C)CCC1.
What is the InChIKey of CID 156823636?
The InChIKey is YFEGDEMFQUUTIO-CURPJKDSSA-N. The full InChI is InChI=1S/C10H17BN2.2C2H6/c1-8-9(13(3)7-12)5-4-6-10(8,2)11;2*1-2/h7,12H,4-6H2,1-3H3;2*1-2H3/b12-7+;;.
What are the key properties of CID 156823636?
CID 156823636 has a molecular weight of 236.21 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156823636 is sourced from PubChem (CID 156823636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).