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

C16H34N2O2 — CID 64709198

IUPACmethyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C(C)C(C)C)NC(C)C
InChIInChI=1S/C16H34N2O2/c1-11(2)14(6)18(8)13(5)10-16(7,15(19)20-9)17-12(3)4/h11-14,17H,10H2,1-9H3
InChIKeyQMTANHWLEBGBBZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.67
Rot. Bonds8

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

methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate (PubChem CID 64709198) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
PubChem CID64709198
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Namemethyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CC(C)N(C)C(C)C(C)C)NC(C)C
InChIInChI=1S/C16H34N2O2/c1-11(2)14(6)18(8)13(5)10-16(7,15(19)20-9)17-12(3)4/h11-14,17H,10H2,1-9H3
InChIKeyQMTANHWLEBGBBZ-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64711212
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-4-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 64710020
methyl 2-methyl-2-(propan-2-ylamino)-4-propan-2-ylsulfanylpentanoate
CID 64709746
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
methyl 4-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79670909
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-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide
CID 64711535
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate (CID 64709198) is methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CC(C)N(C)C(C)C(C)C)NC(C)C.
What is the InChIKey of methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate?
The InChIKey is QMTANHWLEBGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-11(2)14(6)18(8)13(5)10-16(7,15(19)20-9)17-12(3)4/h11-14,17H,10H2,1-9H3.
What are the key properties of methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate?
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate has a molecular weight of 286.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64709198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).