CID 175625722

C10H19BNP — CID 175625722

IUPAC—
SMILES[B]C1(P)CC12CC(C(C)C)N(C)C2
InChIInChI=1S/C10H19BNP/c1-7(2)8-4-9(6-12(8)3)5-10(9,11)13/h7-8H,4-6,13H2,1-3H3
InChIKeyOEHIKFHQTIQHOK-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.48
Rot. Bonds1

About CID 175625722

CID 175625722 (PubChem CID 175625722) has the molecular formula C10H19BNP and a molecular weight of 195.06 g/mol.

Molecular Properties

Compound NameCID 175625722
PubChem CID175625722
Molecular FormulaC10H19BNP
Molecular Weight195.06 g/mol
Exact Mass195.13
IUPAC Name—
SMILES[B]C1(P)CC12CC(C(C)C)N(C)C2
InChIInChI=1S/C10H19BNP/c1-7(2)8-4-9(6-12(8)3)5-10(9,11)13/h7-8H,4-6,13H2,1-3H3
InChIKeyOEHIKFHQTIQHOK-UHFFFAOYSA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175625722?
The IUPAC name of CID 175625722 (CID 175625722) is not available.
What is the SMILES notation for CID 175625722?
The canonical SMILES for CID 175625722 is [B]C1(P)CC12CC(C(C)C)N(C)C2.
What is the InChIKey of CID 175625722?
The InChIKey is OEHIKFHQTIQHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BNP/c1-7(2)8-4-9(6-12(8)3)5-10(9,11)13/h7-8H,4-6,13H2,1-3H3.
What are the key properties of CID 175625722?
CID 175625722 has a molecular weight of 195.06 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175625722 is sourced from PubChem (CID 175625722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).