4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide

C12H25N3O2 — CID 66427812

IUPAC4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
SMILESCCNC(=O)CC(CN)N1CCC(COC)C1
InChIInChI=1S/C12H25N3O2/c1-3-14-12(16)6-11(7-13)15-5-4-10(8-15)9-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCKVCLRCVFDZBNL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds7

About 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide

4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide (PubChem CID 66427812) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
PubChem CID66427812
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
SMILESCCNC(=O)CC(CN)N1CCC(COC)C1
InChIInChI=1S/C12H25N3O2/c1-3-14-12(16)6-11(7-13)15-5-4-10(8-15)9-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyCKVCLRCVFDZBNL-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175132
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
4-amino-N,N-diethyl-3-[3-(methoxymethyl)piperidin-1-yl]butanamide
CID 106586452
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63971703
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64569697
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide (CID 66427812) is 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide is CCNC(=O)CC(CN)N1CCC(COC)C1.
What is the InChIKey of 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is CKVCLRCVFDZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-14-12(16)6-11(7-13)15-5-4-10(8-15)9-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 66427812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).