(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate

C19H37NO2 — CID 166885301

IUPAC(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
SMILESCC(C)C1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1
InChIInChI=1S/C19H37NO2/c1-14(2)19(11-9-10-12-19)22-15(21)18(8,17(6,7)20)13-16(3,4)5/h14H,9-13,20H2,1-8H3
InChIKeyXXXMYRGFKMBZNW-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.68
Rot. Bonds5

About (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate

(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate (PubChem CID 166885301) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
PubChem CID166885301
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
SMILESCC(C)C1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1
InChIInChI=1S/C19H37NO2/c1-14(2)19(11-9-10-12-19)22-15(21)18(8,17(6,7)20)13-16(3,4)5/h14H,9-13,20H2,1-8H3
InChIKeyXXXMYRGFKMBZNW-UHFFFAOYSA-N
XLogP4.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate (CID 166885301) is (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate is CC(C)C1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The InChIKey is XXXMYRGFKMBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-14(2)19(11-9-10-12-19)22-15(21)18(8,17(6,7)20)13-16(3,4)5/h14H,9-13,20H2,1-8H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
(1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate has a molecular weight of 311.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate is sourced from PubChem (CID 166885301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).