(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate

C16H33NO2 — CID 129171605

IUPAC(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
SMILESCC(C)(C)CC(C)(C)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H33NO2/c1-13(2,3)10-14(4,5)12(18)19-16(8,9)11-15(6,7)17/h10-11,17H2,1-9H3
InChIKeyNMVMJWSTKOIIJM-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.90
Rot. Bonds5

About (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate

(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate (PubChem CID 129171605) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Name(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
PubChem CID129171605
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
SMILESCC(C)(C)CC(C)(C)C(=O)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C16H33NO2/c1-13(2,3)10-14(4,5)12(18)19-16(8,9)11-15(6,7)17/h10-11,17H2,1-9H3
InChIKeyNMVMJWSTKOIIJM-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate with MolForge

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Related Compounds

[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
CID 145316987
2-methylbutan-2-yl 4-amino-2,2,4-trimethylpentanoate
CID 123226965
(4-methoxy-2-methylbutan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 137404264
(4-amino-2,4-dimethylpentan-2-yl) 3-ethoxy-3-methylbutanoate
CID 165041539
1-O-(4-hydroxy-2,4-dimethylpentan-2-yl) 5-O-(3-hydroxy-2,2-dimethylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 167260498
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminobutanedioate
CID 154979439
bis(4-amino-2,4-dimethylpentan-2-yl) 2-aminopentanedioate
CID 154979440
2,4,4-trimethylpentan-2-yl 2,2-dimethyl-3-oxo-3-(2,4,4-trimethylpentan-2-ylperoxy)propanoate
CID 154107476
2,4,4-trimethylpentan-2-yl N-phosphanylcarbamate
CID 90048994
ethenyl 2,2,4,4-tetramethylpentanoate
CID 19774400
hexakis(2-methylbutan-2-yl) 1,1,3,5,7,9,11-heptamethyltridecane-1,3,5,7,9,11-hexacarboxylate
CID 130208588
2,2-dimethylpropanoylperoxyperoxy 2,2,4,4-tetramethylpentaneperoxoate
CID 91049611

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate?
The IUPAC name of (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate (CID 129171605) is (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate?
The canonical SMILES for (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate is CC(C)(C)CC(C)(C)C(=O)OC(C)(C)CC(C)(C)N.
What is the InChIKey of (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate?
The InChIKey is NMVMJWSTKOIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2,3)10-14(4,5)12(18)19-16(8,9)11-15(6,7)17/h10-11,17H2,1-9H3.
What are the key properties of (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate?
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate has a molecular weight of 271.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 129171605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).