methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

C17H36N2O2 — CID 64711212

IUPACmethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C(C)C(C)(C)C)NC(C)C
InChIInChI=1S/C17H36N2O2/c1-12(2)18-17(8,15(20)21-10)11-13(3)19(9)14(4)16(5,6)7/h12-14,18H,11H2,1-10H3
InChIKeyMYOCVJIMCLCEQI-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds7

About methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 64711212) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID64711212
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Namemethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C(C)C(C)(C)C)NC(C)C
InChIInChI=1S/C17H36N2O2/c1-12(2)18-17(8,15(20)21-10)11-13(3)19(9)14(4)16(5,6)7/h12-14,18H,11H2,1-10H3
InChIKeyMYOCVJIMCLCEQI-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
methyl 2-methyl-2-(propan-2-ylamino)-4-propan-2-ylsulfanylpentanoate
CID 64709746
methyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 64710020
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
methyl 2-methyl-2-(propan-2-ylamino)-4-(1,2,4-triazol-1-yl)pentanoate
CID 64705076
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
2-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methylpentanamide
CID 64710434
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
CID 63685671

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (CID 64711212) is methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CC(C)N(C)C(C)C(C)(C)C)NC(C)C.
What is the InChIKey of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is MYOCVJIMCLCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-12(2)18-17(8,15(20)21-10)11-13(3)19(9)14(4)16(5,6)7/h12-14,18H,11H2,1-10H3.
What are the key properties of methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 300.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64711212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).