2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal

C15H30N2O — CID 63165409

IUPAC2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
SMILESCCN(CC)C1CCN(CC(C=O)(CC)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-15(6-2,13-18)12-16-10-9-14(11-16)17(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyKAWDDAMFORBQPL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds8

About 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal

2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal (PubChem CID 63165409) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
PubChem CID63165409
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal
SMILESCCN(CC)C1CCN(CC(C=O)(CC)CC)C1
InChIInChI=1S/C15H30N2O/c1-5-15(6-2,13-18)12-16-10-9-14(11-16)17(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKeyKAWDDAMFORBQPL-UHFFFAOYSA-N
XLogP2.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[(4-methylpiperidin-1-yl)methyl]butanal
CID 62276168
2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
CID 62275701
2-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]butanal
CID 102966865
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanamide
CID 55158563
methyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63165821
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
2-amino-2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]propanenitrile
CID 63906026
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal (CID 63165409) is 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal is CCN(CC)C1CCN(CC(C=O)(CC)CC)C1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal?
The InChIKey is KAWDDAMFORBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-15(6-2,13-18)12-16-10-9-14(11-16)17(7-3)8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal?
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal has a molecular weight of 254.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-ethylbutanal is sourced from PubChem (CID 63165409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).