methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate

C13H28N2O2 — CID 63028254

IUPACmethyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
SMILESCCCN(CCC(NCC)C(=O)OC)C(C)C
InChIInChI=1S/C13H28N2O2/c1-6-9-15(11(3)4)10-8-12(14-7-2)13(16)17-5/h11-12,14H,6-10H2,1-5H3
InChIKeyORDICXCRLVDALG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds9

About methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate

methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate (PubChem CID 63028254) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
PubChem CID63028254
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namemethyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
SMILESCCCN(CCC(NCC)C(=O)OC)C(C)C
InChIInChI=1S/C13H28N2O2/c1-6-9-15(11(3)4)10-8-12(14-7-2)13(16)17-5/h11-12,14H,6-10H2,1-5H3
InChIKeyORDICXCRLVDALG-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate (CID 63028254) is methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate is CCCN(CCC(NCC)C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate?
The InChIKey is ORDICXCRLVDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-9-15(11(3)4)10-8-12(14-7-2)13(16)17-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate?
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate is sourced from PubChem (CID 63028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).