methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

C17H36N2O2 — CID 79481544

IUPACmethyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCC(C)CN(CC)CCCC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C17H36N2O2/c1-8-15(5)13-19(9-2)12-10-11-17(6,16(20)21-7)18-14(3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyGNWMKACCHSOOKP-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds11

About methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 79481544) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID79481544
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Namemethyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCC(C)CN(CC)CCCC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C17H36N2O2/c1-8-15(5)13-19(9-2)12-10-11-17(6,16(20)21-7)18-14(3)4/h14-15,18H,8-13H2,1-7H3
InChIKeyGNWMKACCHSOOKP-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (CID 79481544) is methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is CCC(C)CN(CC)CCCC(C)(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is GNWMKACCHSOOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-8-15(5)13-19(9-2)12-10-11-17(6,16(20)21-7)18-14(3)4/h14-15,18H,8-13H2,1-7H3.
What are the key properties of methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 300.49 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 79481544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).