CID 175820473

C12H30BN2 — CID 175820473

IUPAC—
SMILESCCN(CC)CC.CCN(CC)CC.[B]
InChIInChI=1S/2C6H15N.B/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;
InChIKeyOKRDVSXWLKOAQO-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.32
Rot. Bonds6

About CID 175820473

CID 175820473 (PubChem CID 175820473) has the molecular formula C12H30BN2 and a molecular weight of 213.20 g/mol.

Molecular Properties

Compound NameCID 175820473
PubChem CID175820473
Molecular FormulaC12H30BN2
Molecular Weight213.20 g/mol
Exact Mass213.25
IUPAC Name—
SMILESCCN(CC)CC.CCN(CC)CC.[B]
InChIInChI=1S/2C6H15N.B/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;
InChIKeyOKRDVSXWLKOAQO-UHFFFAOYSA-N
XLogP2.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173397842
CID 173397842
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;palladium(2+)
CID 22219787
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
lithium;N,N-diethylethanamine;hydride
CID 161206277
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
zinc;N,N-diethylethanamine;chloride
CID 19867119

Frequently Asked Questions

What is the IUPAC name of CID 175820473?
The IUPAC name of CID 175820473 (CID 175820473) is not available.
What is the SMILES notation for CID 175820473?
The canonical SMILES for CID 175820473 is CCN(CC)CC.CCN(CC)CC.[B].
What is the InChIKey of CID 175820473?
The InChIKey is OKRDVSXWLKOAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.B/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;.
What are the key properties of CID 175820473?
CID 175820473 has a molecular weight of 213.20 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175820473 is sourced from PubChem (CID 175820473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).