2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane

C10H34NO- — CID 159516674

IUPAC2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane
SMILESC.C.C.C.CC.NCC=O.[2H-].[2H]CC
InChIInChI=1S/C2H5NO.2C2H6.4CH4.H/c3-1-2-4;2*1-2;;;;;/h2H,1,3H2;2*1-2H3;4*1H4;/q;;;;;;;-1/i;1D;;;;;;1+1
InChIKeyMBHCNPVACZVSAC-LCKHOCNJSA-N
MW186.40 g/mol
LogP3.85
Rot. Bonds1

About 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane

2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane (PubChem CID 159516674) has the molecular formula C10H34NO- and a molecular weight of 186.40 g/mol. Its IUPAC name is 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane.

Molecular Properties

Compound Name2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane
PubChem CID159516674
Molecular FormulaC10H34NO-
Molecular Weight186.40 g/mol
Exact Mass186.28
IUPAC Name2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane
SMILESC.C.C.C.CC.NCC=O.[2H-].[2H]CC
InChIInChI=1S/C2H5NO.2C2H6.4CH4.H/c3-1-2-4;2*1-2;;;;;/h2H,1,3H2;2*1-2H3;4*1H4;/q;;;;;;;-1/i;1D;;;;;;1+1
InChIKeyMBHCNPVACZVSAC-LCKHOCNJSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aluminum 2-aminoacetaldehyde
CID 18366339
2-aminoacetaldehyde;methanediamine
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2-aminoacetaldehyde;molecular hydrogen;propane
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methane;propanal
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2-aminoacetaldehyde;1-methoxypropane
CID 142289100
ethane;methane;methanediamine
CID 159003496
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CID 91518862
benzene;ethane;propanal
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acetaldehyde;ethanamine;ethane;propane
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propanal;propane
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propanal;trihydrochloride
CID 140558923
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetaldehyde;ethane
CID 142368342

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane?
The IUPAC name of 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane (CID 159516674) is 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane.
What is the SMILES notation for 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane?
The canonical SMILES for 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane is C.C.C.C.CC.NCC=O.[2H-].[2H]CC.
What is the InChIKey of 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane?
The InChIKey is MBHCNPVACZVSAC-LCKHOCNJSA-N. The full InChI is InChI=1S/C2H5NO.2C2H6.4CH4.H/c3-1-2-4;2*1-2;;;;;/h2H,1,3H2;2*1-2H3;4*1H4;/q;;;;;;;-1/i;1D;;;;;;1+1.
What are the key properties of 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane?
2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane has a molecular weight of 186.40 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane is sourced from PubChem (CID 159516674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).