ethane;2-methylpropanal;N-methylpyrrolidin-3-amine

C11H26N2O — CID 171505368

IUPACethane;2-methylpropanal;N-methylpyrrolidin-3-amine
SMILESCC.CC(C)C=O.CNC1CCNC1
InChIInChI=1S/C5H12N2.C4H8O.C2H6/c1-6-5-2-3-7-4-5;1-4(2)3-5;1-2/h5-7H,2-4H2,1H3;3-4H,1-2H3;1-2H3
InChIKeyFIYDESWHVDTNJM-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.44
Rot. Bonds2

About ethane;2-methylpropanal;N-methylpyrrolidin-3-amine

ethane;2-methylpropanal;N-methylpyrrolidin-3-amine (PubChem CID 171505368) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;2-methylpropanal;N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;2-methylpropanal;N-methylpyrrolidin-3-amine
PubChem CID171505368
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;2-methylpropanal;N-methylpyrrolidin-3-amine
SMILESCC.CC(C)C=O.CNC1CCNC1
InChIInChI=1S/C5H12N2.C4H8O.C2H6/c1-6-5-2-3-7-4-5;1-4(2)3-5;1-2/h5-7H,2-4H2,1H3;3-4H,1-2H3;1-2H3
InChIKeyFIYDESWHVDTNJM-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
CID 171505499
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
ethane;2-methylpropanal;N-[(3R)-pyrrolidin-3-yl]isoquinolin-6-amine
CID 143705380
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
ethane;N-piperidin-4-ylformamide
CID 142035291
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
3-ethylazepane;2-methylpropanal
CID 145487003
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119449946
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropanal;N-methylpyrrolidin-3-amine?
The IUPAC name of ethane;2-methylpropanal;N-methylpyrrolidin-3-amine (CID 171505368) is ethane;2-methylpropanal;N-methylpyrrolidin-3-amine.
What is the SMILES notation for ethane;2-methylpropanal;N-methylpyrrolidin-3-amine?
The canonical SMILES for ethane;2-methylpropanal;N-methylpyrrolidin-3-amine is CC.CC(C)C=O.CNC1CCNC1.
What is the InChIKey of ethane;2-methylpropanal;N-methylpyrrolidin-3-amine?
The InChIKey is FIYDESWHVDTNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C4H8O.C2H6/c1-6-5-2-3-7-4-5;1-4(2)3-5;1-2/h5-7H,2-4H2,1H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethane;2-methylpropanal;N-methylpyrrolidin-3-amine?
ethane;2-methylpropanal;N-methylpyrrolidin-3-amine has a molecular weight of 202.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropanal;N-methylpyrrolidin-3-amine is sourced from PubChem (CID 171505368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).