CID 71770872

C8H21BN2P — CID 71770872

IUPAC—
SMILESCCN(CC)PN(CC)CC.[B]
InChIInChI=1S/C8H21N2P.B/c1-5-9(6-2)11-10(7-3)8-4;/h11H,5-8H2,1-4H3;
InChIKeyGLOBHKFEQQAORM-UHFFFAOYSA-N
MW187.06 g/mol
LogP1.80
Rot. Bonds6

About CID 71770872

CID 71770872 (PubChem CID 71770872) has the molecular formula C8H21BN2P and a molecular weight of 187.06 g/mol.

Molecular Properties

Compound NameCID 71770872
PubChem CID71770872
Molecular FormulaC8H21BN2P
Molecular Weight187.06 g/mol
Exact Mass187.15
IUPAC Name—
SMILESCCN(CC)PN(CC)CC.[B]
InChIInChI=1S/C8H21N2P.B/c1-5-9(6-2)11-10(7-3)8-4;/h11H,5-8H2,1-4H3;
InChIKeyGLOBHKFEQQAORM-UHFFFAOYSA-N
XLogP1.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.06
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-trimethylsilyloxyphosphanylethanamine
CID 16699035
CID 175820473
CID 175820473
CID 173397842
CID 173397842
N,N-diethylethanamine;ethane
CID 22114990
N-methyl-N-(methylaminophosphanyl)ethanamine
CID 144751167
N-ethyl-N-methylgallanylethanamine
CID 173471238
N-[ethenyl(dimethyl)silyl]-N-ethylethanamine
CID 11423727
N-[di(butan-2-yl)-(diethylamino)silyl]-N-ethylethanamine
CID 87334261
bis(N,N-diethylethanamine);dihydrate
CID 173331052
bis(N,N-dimethylethanamine);methane
CID 160872665
azane;N,N-dimethylethanamine
CID 91593223
N,N-dimethylethanamine;methane
CID 159924855

Frequently Asked Questions

What is the IUPAC name of CID 71770872?
The IUPAC name of CID 71770872 (CID 71770872) is not available.
What is the SMILES notation for CID 71770872?
The canonical SMILES for CID 71770872 is CCN(CC)PN(CC)CC.[B].
What is the InChIKey of CID 71770872?
The InChIKey is GLOBHKFEQQAORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2P.B/c1-5-9(6-2)11-10(7-3)8-4;/h11H,5-8H2,1-4H3;.
What are the key properties of CID 71770872?
CID 71770872 has a molecular weight of 187.06 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71770872 is sourced from PubChem (CID 71770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).