CID 142548739

C11H20BN3 — CID 142548739

IUPAC—
SMILES[H]/N=C1\N(C)C2CCCC([B])(C)CC2N1C
InChIInChI=1S/C11H20BN3/c1-11(12)6-4-5-8-9(7-11)15(3)10(13)14(8)2/h8-9,13H,4-7H2,1-3H3/b13-10+
InChIKeyAHFYPVDJVAIEES-JLHYYAGUSA-N
MW205.11 g/mol
LogP1.46
Rot. Bonds

About CID 142548739

CID 142548739 (PubChem CID 142548739) has the molecular formula C11H20BN3 and a molecular weight of 205.11 g/mol.

Molecular Properties

Compound NameCID 142548739
PubChem CID142548739
Molecular FormulaC11H20BN3
Molecular Weight205.11 g/mol
Exact Mass205.18
IUPAC Name—
SMILES[H]/N=C1\N(C)C2CCCC([B])(C)CC2N1C
InChIInChI=1S/C11H20BN3/c1-11(12)6-4-5-8-9(7-11)15(3)10(13)14(8)2/h8-9,13H,4-7H2,1-3H3/b13-10+
InChIKeyAHFYPVDJVAIEES-JLHYYAGUSA-N
XLogP1.46
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 51.46
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'}

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Related Compounds

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1,2,2,6-tetramethylpiperidine
CID 23423758
4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 142548739?
The IUPAC name of CID 142548739 (CID 142548739) is not available.
What is the SMILES notation for CID 142548739?
The canonical SMILES for CID 142548739 is [H]/N=C1\N(C)C2CCCC([B])(C)CC2N1C.
What is the InChIKey of CID 142548739?
The InChIKey is AHFYPVDJVAIEES-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H20BN3/c1-11(12)6-4-5-8-9(7-11)15(3)10(13)14(8)2/h8-9,13H,4-7H2,1-3H3/b13-10+.
What are the key properties of CID 142548739?
CID 142548739 has a molecular weight of 205.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142548739 is sourced from PubChem (CID 142548739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).