ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate

C15H32N2O2 — CID 64725654

IUPACethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
SMILESCCCN(C(C)C)C(C)CC(C)(NC)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-8-10-17(12(3)4)13(5)11-15(6,16-7)14(18)19-9-2/h12-13,16H,8-11H2,1-7H3
InChIKeyRFYZCQWXIDXAAN-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds9

About ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate

ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate (PubChem CID 64725654) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
PubChem CID64725654
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
SMILESCCCN(C(C)C)C(C)CC(C)(NC)C(=O)OCC
InChIInChI=1S/C15H32N2O2/c1-8-10-17(12(3)4)13(5)11-15(6,16-7)14(18)19-9-2/h12-13,16H,8-11H2,1-7H3
InChIKeyRFYZCQWXIDXAAN-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725651
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
ethyl 6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)hexanoate
CID 82940420
ethyl 2-methyl-2-(methylamino)-4-(oxetan-3-ylsulfanyl)pentanoate
CID 79326786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate (CID 64725654) is ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate is CCCN(C(C)C)C(C)CC(C)(NC)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate?
The InChIKey is RFYZCQWXIDXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-10-17(12(3)4)13(5)11-15(6,16-7)14(18)19-9-2/h12-13,16H,8-11H2,1-7H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate?
ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate has a molecular weight of 272.43 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate is sourced from PubChem (CID 64725654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).