(2R)-2-amino-3-methylbutanal;ethane

C7H17NO — CID 158862704

IUPAC(2R)-2-amino-3-methylbutanal;ethane
SMILESCC.CC(C)[C@@H](N)C=O
InChIInChI=1S/C5H11NO.C2H6/c1-4(2)5(6)3-7;1-2/h3-5H,6H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyJAVNYOJLRFMUEU-JEDNCBNOSA-N
MW131.22 g/mol
LogP1.19
Rot. Bonds2

About (2R)-2-amino-3-methylbutanal;ethane

(2R)-2-amino-3-methylbutanal;ethane (PubChem CID 158862704) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R)-2-amino-3-methylbutanal;ethane.

Molecular Properties

Compound Name(2R)-2-amino-3-methylbutanal;ethane
PubChem CID158862704
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R)-2-amino-3-methylbutanal;ethane
SMILESCC.CC(C)[C@@H](N)C=O
InChIInChI=1S/C5H11NO.C2H6/c1-4(2)5(6)3-7;1-2/h3-5H,6H2,1-2H3;1-2H3/t5-;/m0./s1
InChIKeyJAVNYOJLRFMUEU-JEDNCBNOSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.19
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

2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine
CID 144981450
(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
CID 101163776
(2S,3R,4S,5R)-2-amino-3,4,5-trihydroxyhexanal
CID 5460919
(2S,3R,4R)-2-amino-3,4,5-trihydroxyhexanal
CID 131227229
(2S)-2-amino-3-methyl-4-sulfanylbutanal
CID 87494692
(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
CID 159342046
(3-amino-4-oxobutan-2-yl) acetate
CID 22368175
2-bromo-3-methylbutanal;ethane
CID 162765378
3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
CID 171530254
(2S,5R)-2-amino-3-methyl-5-methylsulfanylhexanal
CID 173481918
copper;bis(ethane-1,1-diamine)
CID 118678530
(2S)-2-amino-1-deuteriopropan-1-one
CID 57165774

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methylbutanal;ethane?
The IUPAC name of (2R)-2-amino-3-methylbutanal;ethane (CID 158862704) is (2R)-2-amino-3-methylbutanal;ethane.
What is the SMILES notation for (2R)-2-amino-3-methylbutanal;ethane?
The canonical SMILES for (2R)-2-amino-3-methylbutanal;ethane is CC.CC(C)[C@@H](N)C=O.
What is the InChIKey of (2R)-2-amino-3-methylbutanal;ethane?
The InChIKey is JAVNYOJLRFMUEU-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-4(2)5(6)3-7;1-2/h3-5H,6H2,1-2H3;1-2H3/t5-;/m0./s1.
What are the key properties of (2R)-2-amino-3-methylbutanal;ethane?
(2R)-2-amino-3-methylbutanal;ethane has a molecular weight of 131.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methylbutanal;ethane is sourced from PubChem (CID 158862704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).