2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane

C12H30N2O2 — CID 170595575

IUPAC2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane
SMILESCC.CCC.CNC(C)C(C)=O.NCC=O
InChIInChI=1S/C5H11NO.C3H8.C2H5NO.C2H6/c1-4(6-3)5(2)7;1-3-2;3-1-2-4;1-2/h4,6H,1-3H3;3H2,1-2H3;2H,1,3H2;1-2H3
InChIKeyNZTPDLVWZSCFCK-UHFFFAOYSA-N
MW234.38 g/mol
LogP1.77
Rot. Bonds3

About 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane

2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane (PubChem CID 170595575) has the molecular formula C12H30N2O2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane.

Molecular Properties

Compound Name2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane
PubChem CID170595575
Molecular FormulaC12H30N2O2
Molecular Weight234.38 g/mol
Exact Mass234.23
IUPAC Name2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane
SMILESCC.CCC.CNC(C)C(C)=O.NCC=O
InChIInChI=1S/C5H11NO.C3H8.C2H5NO.C2H6/c1-4(6-3)5(2)7;1-3-2;3-1-2-4;1-2/h4,6H,1-3H3;3H2,1-2H3;2H,1,3H2;1-2H3
InChIKeyNZTPDLVWZSCFCK-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyacetaldehyde;2-(methylamino)propanoic acid;propane
CID 170591176
ethane;3-(ethylamino)butan-2-one
CID 145148121
2-aminoacetaldehyde;molecular hydrogen;propane
CID 162518471
propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
acetaldehyde;1-aminopropan-2-one;ethane;propane
CID 156809732
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
3,3-dimethyl-4-(methylamino)-5-oxohexanal
CID 20645000
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
1,2-diamino-4-(methylamino)pentan-3-one
CID 123312987
N-(3-oxobutan-2-yl)propanamide
CID 22943760
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
2-(methylamino)propanamide;hydrochloride
CID 71433439

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane?
The IUPAC name of 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane (CID 170595575) is 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane.
What is the SMILES notation for 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane?
The canonical SMILES for 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane is CC.CCC.CNC(C)C(C)=O.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane?
The InChIKey is NZTPDLVWZSCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H8.C2H5NO.C2H6/c1-4(6-3)5(2)7;1-3-2;3-1-2-4;1-2/h4,6H,1-3H3;3H2,1-2H3;2H,1,3H2;1-2H3.
What are the key properties of 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane?
2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane has a molecular weight of 234.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;ethane;3-(methylamino)butan-2-one;propane is sourced from PubChem (CID 170595575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).