ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate

C16H34N2O2 — CID 63054301

IUPACethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
SMILESCCCCCN(CCC(NCC)C(=O)OCC)C(C)C
InChIInChI=1S/C16H34N2O2/c1-6-9-10-12-18(14(4)5)13-11-15(17-7-2)16(19)20-8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyFOBBDJZGDVHYFX-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.82
Rot. Bonds12

About ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate

ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate (PubChem CID 63054301) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
PubChem CID63054301
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nameethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
SMILESCCCCCN(CCC(NCC)C(=O)OCC)C(C)C
InChIInChI=1S/C16H34N2O2/c1-6-9-10-12-18(14(4)5)13-11-15(17-7-2)16(19)20-8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyFOBBDJZGDVHYFX-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
ethyl 2-(ethylamino)-4-propan-2-ylsulfanylbutanoate
CID 63033263
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373
ethyl 3-[bis(3-methylbutyl)amino]-2-(ethylamino)propanoate
CID 107870945
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
ethyl 2-(ethylamino)-4-(3-methylbutan-2-ylsulfanyl)butanoate
CID 107755810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate (CID 63054301) is ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate is CCCCCN(CCC(NCC)C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate?
The InChIKey is FOBBDJZGDVHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-6-9-10-12-18(14(4)5)13-11-15(17-7-2)16(19)20-8-3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate?
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate has a molecular weight of 286.46 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate is sourced from PubChem (CID 63054301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).