4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide

C13H28N4O — CID 63055063

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCCC1CN(C)C)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-15-12(13(14)18)7-9-17-8-5-6-11(17)10-16(2)3/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeySDUBZZJEQTWXIL-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds8

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide (PubChem CID 63055063) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
PubChem CID63055063
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCCC1CN(C)C)C(N)=O
InChIInChI=1S/C13H28N4O/c1-4-15-12(13(14)18)7-9-17-8-5-6-11(17)10-16(2)3/h11-12,15H,4-10H2,1-3H3,(H2,14,18)
InChIKeySDUBZZJEQTWXIL-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
CID 63055230
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637
2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
CID 114087505
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanamide
CID 63053485
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215
2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
CID 79315941
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
CID 106802390
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide (CID 63055063) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide is CCNC(CCN1CCCC1CN(C)C)C(N)=O.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide?
The InChIKey is SDUBZZJEQTWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-15-12(13(14)18)7-9-17-8-5-6-11(17)10-16(2)3/h11-12,15H,4-10H2,1-3H3,(H2,14,18).
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide is sourced from PubChem (CID 63055063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).