2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide

C15H30N4O — CID 79315941

IUPAC2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
SMILESCCN1CCCC1CN(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C15H30N4O/c1-3-19-9-4-5-13(19)11-18(2)10-8-14(15(16)20)17-12-6-7-12/h12-14,17H,3-11H2,1-2H3,(H2,16,20)
InChIKeyAYBGIGNSVXDCFO-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.40
Rot. Bonds9

About 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide

2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide (PubChem CID 79315941) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
PubChem CID79315941
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
SMILESCCN1CCCC1CN(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C15H30N4O/c1-3-19-9-4-5-13(19)11-18(2)10-8-14(15(16)20)17-12-6-7-12/h12-14,17H,3-11H2,1-2H3,(H2,16,20)
InChIKeyAYBGIGNSVXDCFO-UHFFFAOYSA-N
XLogP0.40
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062215
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 63052904
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide (CID 79315941) is 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide is CCN1CCCC1CN(C)CCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide?
The InChIKey is AYBGIGNSVXDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-19-9-4-5-13(19)11-18(2)10-8-14(15(16)20)17-12-6-7-12/h12-14,17H,3-11H2,1-2H3,(H2,16,20).
What are the key properties of 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide?
2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide has a molecular weight of 282.43 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide is sourced from PubChem (CID 79315941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).