(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate

C16H31NO2 — CID 144582722

IUPAC(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(CN)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C16H31NO2/c1-12(2)10-15(5,11-17)14(18)19-16(13(3)4)8-6-7-9-16/h12-13H,6-11,17H2,1-5H3
InChIKeyNQKIWFDFVMHSDD-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.51
Rot. Bonds6

About (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate

(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate (PubChem CID 144582722) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
PubChem CID144582722
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(CN)C(=O)OC1(C(C)C)CCCC1
InChIInChI=1S/C16H31NO2/c1-12(2)10-15(5,11-17)14(18)19-16(13(3)4)8-6-7-9-16/h12-13H,6-11,17H2,1-5H3
InChIKeyNQKIWFDFVMHSDD-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Aminomethyl-cyclopentanecarboxylic acid tert-butyl ester
CID 53407162
(3-Ethyl-2,5,5-trimethylheptan-3-yl) 3-aminopropanoate
CID 88535305
Tert-butyl 2-(aminomethyl)-2-propylpentanoate
CID 89812951
(1-Methylcyclopentyl) 2-(aminomethyl)-2,4,4-trimethylpentanoate
CID 145553911
3-Cyclohexylpentan-3-yl 2-(aminomethyl)-2,4,4-trimethylpentanoate
CID 145554024
3-(Aminomethyl)-4,4,5,5-tetramethyloxolan-2-one
CID 146184177
(1-Ethylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
CID 155449740
(1-Ethylcyclopentyl) 2-(aminomethyl)-2-methylbutanoate
CID 163624765
(1-Propan-2-ylcyclopentyl) 2-(2-aminopropan-2-yl)-2,4,4-trimethylpentanoate
CID 166885301
(1-Propan-2-ylcyclopentyl) 2,3,3-trimethyl-2-(methylaminomethyl)butanoate
CID 166935007
(1-Tert-butylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate
CID 169813895
(1-Propan-2-ylcyclopentyl) 3-amino-2,2-dimethylpropanoate
CID 169900853

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate?
The IUPAC name of (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate (CID 144582722) is (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate.
What is the SMILES notation for (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate?
The canonical SMILES for (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate is CC(C)CC(C)(CN)C(=O)OC1(C(C)C)CCCC1.
What is the InChIKey of (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate?
The InChIKey is NQKIWFDFVMHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(2)10-15(5,11-17)14(18)19-16(13(3)4)8-6-7-9-16/h12-13H,6-11,17H2,1-5H3.
What are the key properties of (1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate?
(1-propan-2-ylcyclopentyl) 2-(aminomethyl)-2,4-dimethylpentanoate has a molecular weight of 269.43 g/mol, XLogP of 3.51, 6 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-(aminomethyl)-2,4-dimethylpentanoate is sourced from PubChem (CID 144582722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).