CID 58998146

C7H15NO2 — CID 58998146

IUPAC—
SMILES[CH]N(CCOC)CCOC
InChIInChI=1S/C7H15NO2/c1-8(4-6-9-2)5-7-10-3/h1H,4-7H2,2-3H3
InChIKeyVKISAOYPGHFTAB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.25
Rot. Bonds6

About CID 58998146

CID 58998146 (PubChem CID 58998146) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol.

Molecular Properties

Compound NameCID 58998146
PubChem CID58998146
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name—
SMILES[CH]N(CCOC)CCOC
InChIInChI=1S/C7H15NO2/c1-8(4-6-9-2)5-7-10-3/h1H,4-7H2,2-3H3
InChIKeyVKISAOYPGHFTAB-UHFFFAOYSA-N
XLogP0.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
CID 101178947
1,1-bis(2-methoxyethyl)-2-methylhydrazine
CID 54251784
1,1-diethyl-2,2-bis(2-methoxyethyl)hydrazine
CID 57429150
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
N-dimethylphosphoryl-2-methoxy-N-methylethanamine
CID 118052342
N-alumanyl-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 156656454
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
1,1-bis(2-ethoxyethyl)-2,2-bis(2-methoxyethyl)hydrazine
CID 57436594
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
N-[2-[bis[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]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[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]ethyl-[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]ethyl-[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]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739

Frequently Asked Questions

What is the IUPAC name of CID 58998146?
The IUPAC name of CID 58998146 (CID 58998146) is not available.
What is the SMILES notation for CID 58998146?
The canonical SMILES for CID 58998146 is [CH]N(CCOC)CCOC.
What is the InChIKey of CID 58998146?
The InChIKey is VKISAOYPGHFTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8(4-6-9-2)5-7-10-3/h1H,4-7H2,2-3H3.
What are the key properties of CID 58998146?
CID 58998146 has a molecular weight of 145.20 g/mol, XLogP of 0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998146 is sourced from PubChem (CID 58998146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).