CID 155751073

C14H27BN2 — CID 155751073

IUPAC—
SMILESCC.[B]C1CCCC2C1CC/C(=N\CC)N2C
InChIInChI=1S/C12H21BN2.C2H6/c1-3-14-12-8-7-9-10(13)5-4-6-11(9)15(12)2;1-2/h9-11H,3-8H2,1-2H3;1-2H3/b14-12+;
InChIKeyRTIDNZPSLQKPMT-UNGNXWFZSA-N
MW234.20 g/mol
LogP3.28
Rot. Bonds1

About CID 155751073

CID 155751073 (PubChem CID 155751073) has the molecular formula C14H27BN2 and a molecular weight of 234.20 g/mol.

Molecular Properties

Compound NameCID 155751073
PubChem CID155751073
Molecular FormulaC14H27BN2
Molecular Weight234.20 g/mol
Exact Mass234.23
IUPAC Name—
SMILESCC.[B]C1CCCC2C1CC/C(=N\CC)N2C
InChIInChI=1S/C12H21BN2.C2H6/c1-3-14-12-8-7-9-10(13)5-4-6-11(9)15(12)2;1-2/h9-11H,3-8H2,1-2H3;1-2H3/b14-12+;
InChIKeyRTIDNZPSLQKPMT-UNGNXWFZSA-N
XLogP3.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155751073?
The IUPAC name of CID 155751073 (CID 155751073) is not available.
What is the SMILES notation for CID 155751073?
The canonical SMILES for CID 155751073 is CC.[B]C1CCCC2C1CC/C(=N\CC)N2C.
What is the InChIKey of CID 155751073?
The InChIKey is RTIDNZPSLQKPMT-UNGNXWFZSA-N. The full InChI is InChI=1S/C12H21BN2.C2H6/c1-3-14-12-8-7-9-10(13)5-4-6-11(9)15(12)2;1-2/h9-11H,3-8H2,1-2H3;1-2H3/b14-12+;.
What are the key properties of CID 155751073?
CID 155751073 has a molecular weight of 234.20 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155751073 is sourced from PubChem (CID 155751073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).