CID 140686753

C9H19BN — CID 140686753

IUPAC—
SMILESCC(C)(C)[B]N1CCCCC1
InChIInChI=1S/C9H19BN/c1-9(2,3)10-11-7-5-4-6-8-11/h4-8H2,1-3H3
InChIKeyDPWQXZXSYBVFJC-UHFFFAOYSA-N
MW152.07 g/mol
LogP2.31
Rot. Bonds1

About CID 140686753

CID 140686753 (PubChem CID 140686753) has the molecular formula C9H19BN and a molecular weight of 152.07 g/mol.

Molecular Properties

Compound NameCID 140686753
PubChem CID140686753
Molecular FormulaC9H19BN
Molecular Weight152.07 g/mol
Exact Mass152.16
IUPAC Name—
SMILESCC(C)(C)[B]N1CCCCC1
InChIInChI=1S/C9H19BN/c1-9(2,3)10-11-7-5-4-6-8-11/h4-8H2,1-3H3
InChIKeyDPWQXZXSYBVFJC-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
CID 58998116
CID 58998116
2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731

Frequently Asked Questions

What is the IUPAC name of CID 140686753?
The IUPAC name of CID 140686753 (CID 140686753) is not available.
What is the SMILES notation for CID 140686753?
The canonical SMILES for CID 140686753 is CC(C)(C)[B]N1CCCCC1.
What is the InChIKey of CID 140686753?
The InChIKey is DPWQXZXSYBVFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BN/c1-9(2,3)10-11-7-5-4-6-8-11/h4-8H2,1-3H3.
What are the key properties of CID 140686753?
CID 140686753 has a molecular weight of 152.07 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140686753 is sourced from PubChem (CID 140686753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).