CID 142616142

C13H25BN2 — CID 142616142

IUPAC—
SMILESCC.[B]C1CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C11H19BN2.C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;1-2/h8-10H,3-7H2,1-2H3;1-2H3/b13-11+;
InChIKeyIVZHMWZSIGJDMU-BNSHTTSQSA-N
MW220.17 g/mol
LogP2.89
Rot. Bonds

About CID 142616142

CID 142616142 (PubChem CID 142616142) has the molecular formula C13H25BN2 and a molecular weight of 220.17 g/mol.

Molecular Properties

Compound NameCID 142616142
PubChem CID142616142
Molecular FormulaC13H25BN2
Molecular Weight220.17 g/mol
Exact Mass220.21
IUPAC Name—
SMILESCC.[B]C1CCCC2C1CC/C(=N\C)N2C
InChIInChI=1S/C11H19BN2.C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;1-2/h8-10H,3-7H2,1-2H3;1-2H3/b13-11+;
InChIKeyIVZHMWZSIGJDMU-BNSHTTSQSA-N
XLogP2.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.89
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 142616142?
The IUPAC name of CID 142616142 (CID 142616142) is not available.
What is the SMILES notation for CID 142616142?
The canonical SMILES for CID 142616142 is CC.[B]C1CCCC2C1CC/C(=N\C)N2C.
What is the InChIKey of CID 142616142?
The InChIKey is IVZHMWZSIGJDMU-BNSHTTSQSA-N. The full InChI is InChI=1S/C11H19BN2.C2H6/c1-13-11-7-6-8-9(12)4-3-5-10(8)14(11)2;1-2/h8-10H,3-7H2,1-2H3;1-2H3/b13-11+;.
What are the key properties of CID 142616142?
CID 142616142 has a molecular weight of 220.17 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142616142 is sourced from PubChem (CID 142616142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).