(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate

C18H35NO2 — CID 155449740

IUPAC(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
SMILESCCC1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1
InChIInChI=1S/C18H35NO2/c1-8-18(11-9-10-12-18)21-14(20)17(7,16(5,6)19)13-15(2,3)4/h8-13,19H2,1-7H3
InChIKeySLDWBTGKAXHMFH-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.43
Rot. Bonds5

About (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate

(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate (PubChem CID 155449740) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
PubChem CID155449740
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
SMILESCCC1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1
InChIInChI=1S/C18H35NO2/c1-8-18(11-9-10-12-18)21-14(20)17(7,16(5,6)19)13-15(2,3)4/h8-13,19H2,1-7H3
InChIKeySLDWBTGKAXHMFH-UHFFFAOYSA-N
XLogP4.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The IUPAC name of (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate (CID 155449740) is (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate is CCC1(OC(=O)C(C)(CC(C)(C)C)C(C)(C)N)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
The InChIKey is SLDWBTGKAXHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-8-18(11-9-10-12-18)21-14(20)17(7,16(5,6)19)13-15(2,3)4/h8-13,19H2,1-7H3.
What are the key properties of (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate?
(1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate has a molecular weight of 297.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate is sourced from PubChem (CID 155449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).