CID 176727323

C7H15NO3 — CID 176727323

IUPAC—
SMILES[CH]OCCOCCOCCN
InChIInChI=1S/C7H15NO3/c1-9-4-5-11-7-6-10-3-2-8/h1H,2-8H2
InChIKeyXFGWHKPXPFPPRF-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.34
Rot. Bonds8

About CID 176727323

CID 176727323 (PubChem CID 176727323) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol.

Molecular Properties

Compound NameCID 176727323
PubChem CID176727323
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name—
SMILES[CH]OCCOCCOCCN
InChIInChI=1S/C7H15NO3/c1-9-4-5-11-7-6-10-3-2-8/h1H,2-8H2
InChIKeyXFGWHKPXPFPPRF-UHFFFAOYSA-N
XLogP-0.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
CID 172894425
CID 172894425
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
CID 169214399
CID 169214399
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
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 176727323?
The IUPAC name of CID 176727323 (CID 176727323) is not available.
What is the SMILES notation for CID 176727323?
The canonical SMILES for CID 176727323 is [CH]OCCOCCOCCN.
What is the InChIKey of CID 176727323?
The InChIKey is XFGWHKPXPFPPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-9-4-5-11-7-6-10-3-2-8/h1H,2-8H2.
What are the key properties of CID 176727323?
CID 176727323 has a molecular weight of 161.20 g/mol, XLogP of -0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176727323 is sourced from PubChem (CID 176727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).