ethane;ethaneperoxoic acid;methanamine

C7H21NO3 — CID 159871057

IUPACethane;ethaneperoxoic acid;methanamine
SMILESCC.CC.CC(=O)OO.CN
InChIInChI=1S/C2H4O3.2C2H6.CH5N/c1-2(3)5-4;3*1-2/h4H,1H3;2*1-2H3;2H2,1H3
InChIKeyNSIQNGPCTMERQH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds

About ethane;ethaneperoxoic acid;methanamine

ethane;ethaneperoxoic acid;methanamine (PubChem CID 159871057) has the molecular formula C7H21NO3 and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;ethaneperoxoic acid;methanamine.

Molecular Properties

Compound Nameethane;ethaneperoxoic acid;methanamine
PubChem CID159871057
Molecular FormulaC7H21NO3
Molecular Weight167.25 g/mol
Exact Mass167.15
IUPAC Nameethane;ethaneperoxoic acid;methanamine
SMILESCC.CC.CC(=O)OO.CN
InChIInChI=1S/C2H4O3.2C2H6.CH5N/c1-2(3)5-4;3*1-2/h4H,1H3;2*1-2H3;2H2,1H3
InChIKeyNSIQNGPCTMERQH-UHFFFAOYSA-N
XLogP1.65
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 87069860
CID 87069860
aluminum ethaneperoxoic acid
CID 22172567
ethaneperoxoic acid;yttrium
CID 88646363
sodium;ethaneperoxoic acid;bromide
CID 175568504
ethaneperoxoic acid;methoxymethane
CID 87834215
sodium;ethaneperoxoic acid;acetate
CID 87103299
acetonitrile;ethaneperoxoic acid
CID 160709042
butanedioic acid;ethaneperoxoic acid
CID 160919533
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
ethaneperoxoic acid;octane
CID 87879495
acetyl acetate;chromium(2+)
CID 19978523
acetyl ethaneperoxoate;ethane
CID 91004145

Frequently Asked Questions

What is the IUPAC name of ethane;ethaneperoxoic acid;methanamine?
The IUPAC name of ethane;ethaneperoxoic acid;methanamine (CID 159871057) is ethane;ethaneperoxoic acid;methanamine.
What is the SMILES notation for ethane;ethaneperoxoic acid;methanamine?
The canonical SMILES for ethane;ethaneperoxoic acid;methanamine is CC.CC.CC(=O)OO.CN.
What is the InChIKey of ethane;ethaneperoxoic acid;methanamine?
The InChIKey is NSIQNGPCTMERQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.2C2H6.CH5N/c1-2(3)5-4;3*1-2/h4H,1H3;2*1-2H3;2H2,1H3.
What are the key properties of ethane;ethaneperoxoic acid;methanamine?
ethane;ethaneperoxoic acid;methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethaneperoxoic acid;methanamine is sourced from PubChem (CID 159871057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).