ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate

C15H31N3O2 — CID 63274259

IUPACethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
SMILESCCNC(CCN(C)CC1CCN(C)C1)C(=O)OCC
InChIInChI=1S/C15H31N3O2/c1-5-16-14(15(19)20-6-2)8-10-18(4)12-13-7-9-17(3)11-13/h13-14,16H,5-12H2,1-4H3
InChIKeyRMHLGOGQOSCQLS-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.80
Rot. Bonds9

About ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate

ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate (PubChem CID 63274259) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
PubChem CID63274259
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
SMILESCCNC(CCN(C)CC1CCN(C)C1)C(=O)OCC
InChIInChI=1S/C15H31N3O2/c1-5-16-14(15(19)20-6-2)8-10-18(4)12-13-7-9-17(3)11-13/h13-14,16H,5-12H2,1-4H3
InChIKeyRMHLGOGQOSCQLS-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)butanamide
CID 63274172

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate (CID 63274259) is ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate is CCNC(CCN(C)CC1CCN(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
The InChIKey is RMHLGOGQOSCQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-16-14(15(19)20-6-2)8-10-18(4)12-13-7-9-17(3)11-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate?
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate has a molecular weight of 285.43 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate is sourced from PubChem (CID 63274259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).