CID 71405114

C6H18BN3P — CID 71405114

IUPAC—
SMILESCN(C)P(N(C)C)N(C)C.[B]
InChIInChI=1S/C6H18N3P.B/c1-7(2)10(8(3)4)9(5)6;/h1-6H3;
InChIKeyBPFATCBCRNQDPP-UHFFFAOYSA-N
MW174.02 g/mol
LogP0.52
Rot. Bonds3

About CID 71405114

CID 71405114 (PubChem CID 71405114) has the molecular formula C6H18BN3P and a molecular weight of 174.02 g/mol.

Molecular Properties

Compound NameCID 71405114
PubChem CID71405114
Molecular FormulaC6H18BN3P
Molecular Weight174.02 g/mol
Exact Mass174.13
IUPAC Name—
SMILESCN(C)P(N(C)C)N(C)C.[B]
InChIInChI=1S/C6H18N3P.B/c1-7(2)10(8(3)4)9(5)6;/h1-6H3;
InChIKeyBPFATCBCRNQDPP-UHFFFAOYSA-N
XLogP0.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.02
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 71405114?
The IUPAC name of CID 71405114 (CID 71405114) is not available.
What is the SMILES notation for CID 71405114?
The canonical SMILES for CID 71405114 is CN(C)P(N(C)C)N(C)C.[B].
What is the InChIKey of CID 71405114?
The InChIKey is BPFATCBCRNQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3P.B/c1-7(2)10(8(3)4)9(5)6;/h1-6H3;.
What are the key properties of CID 71405114?
CID 71405114 has a molecular weight of 174.02 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71405114 is sourced from PubChem (CID 71405114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).