methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate

C15H32N2O2 — CID 63054156

IUPACmethyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
SMILESCCCCN(CCC(NCC)C(=O)OC)C(C)CC
InChIInChI=1S/C15H32N2O2/c1-6-9-11-17(13(4)7-2)12-10-14(16-8-3)15(18)19-5/h13-14,16H,6-12H2,1-5H3
InChIKeyDREDQVKVWWEYLD-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds11

About methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate

methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate (PubChem CID 63054156) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
PubChem CID63054156
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Namemethyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
SMILESCCCCN(CCC(NCC)C(=O)OC)C(C)CC
InChIInChI=1S/C15H32N2O2/c1-6-9-11-17(13(4)7-2)12-10-14(16-8-3)15(18)19-5/h13-14,16H,6-12H2,1-5H3
InChIKeyDREDQVKVWWEYLD-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
4-[butan-2-yl(butyl)amino]-2-(methylamino)butanamide
CID 63053272
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
methyl 4-butylsulfanyl-2-(ethylamino)butanoate
CID 63034459
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
methyl 2-(ethylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483575
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate?
The IUPAC name of methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate (CID 63054156) is methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate.
What is the SMILES notation for methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate?
The canonical SMILES for methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate is CCCCN(CCC(NCC)C(=O)OC)C(C)CC.
What is the InChIKey of methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate?
The InChIKey is DREDQVKVWWEYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-9-11-17(13(4)7-2)12-10-14(16-8-3)15(18)19-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate?
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate has a molecular weight of 272.43 g/mol, XLogP of 2.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate is sourced from PubChem (CID 63054156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).