(2S)-2-aminopentanal;ethane;molecular hydrogen

C7H19NO — CID 177242224

IUPAC(2S)-2-aminopentanal;ethane;molecular hydrogen
SMILESCC.CCC[C@H](N)C=O.[H][H]
InChIInChI=1S/C5H11NO.C2H6.H2/c1-2-3-5(6)4-7;1-2;/h4-5H,2-3,6H2,1H3;1-2H3;1H/t5-;;/m0../s1
InChIKeyZDDNXAMKAYVIPV-XRIGFGBMSA-N
MW133.24 g/mol
LogP1.58
Rot. Bonds3

About (2S)-2-aminopentanal;ethane;molecular hydrogen

(2S)-2-aminopentanal;ethane;molecular hydrogen (PubChem CID 177242224) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is (2S)-2-aminopentanal;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-aminopentanal;ethane;molecular hydrogen
PubChem CID177242224
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Name(2S)-2-aminopentanal;ethane;molecular hydrogen
SMILESCC.CCC[C@H](N)C=O.[H][H]
InChIInChI=1S/C5H11NO.C2H6.H2/c1-2-3-5(6)4-7;1-2;/h4-5H,2-3,6H2,1H3;1-2H3;1H/t5-;;/m0../s1
InChIKeyZDDNXAMKAYVIPV-XRIGFGBMSA-N
XLogP1.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 51.58
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-aminooctanal
CID 54076326
2-amino-4-bromobutanal
CID 91331444
ethane;molecular hydrogen;pentan-2-amine
CID 178004416
2-amino-4-ethylsulfanylbutanal
CID 167138270
(2S,4S)-4-acetyl-2-aminoheptanal
CID 166691167
(E)-4-aminohept-2-enoic acid
CID 116940801
(2S)-2-amino-4-(dimethylamino)butanal
CID 88906028
(4S)-4-amino-5-oxopentanoic acid;methane
CID 162048399
4-amino-5-oxopentanoic acid;dihydrochloride
CID 23172563
(2S)-2-amino-4-methylsulfonylbutanal
CID 87872241
2-bromopentanal;ethane
CID 145429561
(Z,4R)-hept-2-en-4-amine
CID 89073928

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanal;ethane;molecular hydrogen?
The IUPAC name of (2S)-2-aminopentanal;ethane;molecular hydrogen (CID 177242224) is (2S)-2-aminopentanal;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-2-aminopentanal;ethane;molecular hydrogen?
The canonical SMILES for (2S)-2-aminopentanal;ethane;molecular hydrogen is CC.CCC[C@H](N)C=O.[H][H].
What is the InChIKey of (2S)-2-aminopentanal;ethane;molecular hydrogen?
The InChIKey is ZDDNXAMKAYVIPV-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H11NO.C2H6.H2/c1-2-3-5(6)4-7;1-2;/h4-5H,2-3,6H2,1H3;1-2H3;1H/t5-;;/m0../s1.
What are the key properties of (2S)-2-aminopentanal;ethane;molecular hydrogen?
(2S)-2-aminopentanal;ethane;molecular hydrogen has a molecular weight of 133.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanal;ethane;molecular hydrogen is sourced from PubChem (CID 177242224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).