2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid

C15H31N3O2 — CID 63236573

IUPAC2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCNC(C)(CCN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-16-15(2,14(19)20)8-11-18(4)12-13-6-9-17(3)10-7-13/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyNRVDBNSYJOVMRH-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.10
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid

2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (PubChem CID 63236573) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
PubChem CID63236573
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
SMILESCCNC(C)(CCN(C)CC1CCN(C)CC1)C(=O)O
InChIInChI=1S/C15H31N3O2/c1-5-16-15(2,14(19)20)8-11-18(4)12-13-6-9-17(3)10-7-13/h13,16H,5-12H2,1-4H3,(H,19,20)
InChIKeyNRVDBNSYJOVMRH-UHFFFAOYSA-N
XLogP1.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)butanamide
CID 63274172
2-amino-2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoic acid
CID 55171826
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)propanoic acid
CID 55171442
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid (CID 63236573) is 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is CCNC(C)(CCN(C)CC1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
The InChIKey is NRVDBNSYJOVMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-16-15(2,14(19)20)8-11-18(4)12-13-6-9-17(3)10-7-13/h13,16H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid?
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 63236573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).