CID 169214399

C8H18BNO3 — CID 169214399

IUPAC—
SMILES[B]CCOCCOCCOCCN
InChIInChI=1S/C8H18BNO3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8,10H2
InChIKeyDOJCAZQLHAYXTI-UHFFFAOYSA-N
MW187.05 g/mol
LogP-0.42
Rot. Bonds10

About CID 169214399

CID 169214399 (PubChem CID 169214399) has the molecular formula C8H18BNO3 and a molecular weight of 187.05 g/mol.

Molecular Properties

Compound NameCID 169214399
PubChem CID169214399
Molecular FormulaC8H18BNO3
Molecular Weight187.05 g/mol
Exact Mass187.14
IUPAC Name—
SMILES[B]CCOCCOCCOCCN
InChIInChI=1S/C8H18BNO3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8,10H2
InChIKeyDOJCAZQLHAYXTI-UHFFFAOYSA-N
XLogP-0.42
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.05
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
CID 176727323
CID 176727323
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethanamine;methane
CID 158951566
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrobromide
CID 164887540

Frequently Asked Questions

What is the IUPAC name of CID 169214399?
The IUPAC name of CID 169214399 (CID 169214399) is not available.
What is the SMILES notation for CID 169214399?
The canonical SMILES for CID 169214399 is [B]CCOCCOCCOCCN.
What is the InChIKey of CID 169214399?
The InChIKey is DOJCAZQLHAYXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BNO3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8,10H2.
What are the key properties of CID 169214399?
CID 169214399 has a molecular weight of 187.05 g/mol, XLogP of -0.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169214399 is sourced from PubChem (CID 169214399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).